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Steroids and derivatives

Any of a large class of organic compounds with a characteristic molecular structure containing four rings of carbon atoms (three six-membered and one five) and associated derivatives; includes many hormones, alkaloids, and vitamins.
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1 – 15 of 92 results
1

beta-Estradiol, 99% (dry wt.), ca 3% water

CAS: 50-28-2 Molecular Formula: C18H24O2 Molecular Weight (g/mol): 272.388 MDL Number: MFCD00003693 InChI Key: VOXZDWNPVJITMN-ZBRFXRBCSA-N Synonym: estradiol,beta-estradiol,17beta-estradiol,oestradiol,dihydrofolliculin,estrace,ovocyclin,progynon,dihydrotheelin,dihydroxyestrin PubChem CID: 5757 ChEBI: CHEBI:16469 IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O

PubChem CID 5757
CAS 50-28-2
Molecular Weight (g/mol) 272.388
ChEBI CHEBI:16469
MDL Number MFCD00003693
SMILES CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
Synonym estradiol,beta-estradiol,17beta-estradiol,oestradiol,dihydrofolliculin,estrace,ovocyclin,progynon,dihydrotheelin,dihydroxyestrin
IUPAC Name (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
InChI Key VOXZDWNPVJITMN-ZBRFXRBCSA-N
Molecular Formula C18H24O2
3

Androsterone, 97%

CAS: 53-41-8 Molecular Formula: C19H30O2 Molecular Weight (g/mol): 290.447 InChI Key: QGXBDMJGAMFCBF-HLUDHZFRSA-N Synonym: androsterone,androkinine,androtine,5alpha-androsterone,3alpha-hydroxy-5alpha-androstan-17-one,atromide ici,3-epihydroxyetioallocholan-17-one,3alpha-hydroxyetioallocholan-17-one,5alpha-androstane-3alpha-ol-17-one,cis-androsterone PubChem CID: 5879 ChEBI: CHEBI:16032 IUPAC Name: (3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O

PubChem CID 5879
CAS 53-41-8
Molecular Weight (g/mol) 290.447
ChEBI CHEBI:16032
SMILES CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O
Synonym androsterone,androkinine,androtine,5alpha-androsterone,3alpha-hydroxy-5alpha-androstan-17-one,atromide ici,3-epihydroxyetioallocholan-17-one,3alpha-hydroxyetioallocholan-17-one,5alpha-androstane-3alpha-ol-17-one,cis-androsterone
IUPAC Name (3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
InChI Key QGXBDMJGAMFCBF-HLUDHZFRSA-N
Molecular Formula C19H30O2
4

Norethisterone, Thermo Scientific Chemicals

CAS: 68-22-4 Molecular Formula: C20H26O2 Molecular Weight (g/mol): 298.42 InChI Key: VIKNJXKGJWUCNN-XGXHKTLJSA-N Synonym: norethindrone,norethisterone,norethisteron,micronor,19-norethisterone,norcolut,noriday,norlutin,primolut-n,norethynodrone PubChem CID: 6230 ChEBI: CHEBI:7627 IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34

PubChem CID 6230
CAS 68-22-4
Molecular Weight (g/mol) 298.42
ChEBI CHEBI:7627
SMILES CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
Synonym norethindrone,norethisterone,norethisteron,micronor,19-norethisterone,norcolut,noriday,norlutin,primolut-n,norethynodrone
IUPAC Name (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
InChI Key VIKNJXKGJWUCNN-XGXHKTLJSA-N
Molecular Formula C20H26O2
5
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Progesterone, 98%, Thermo Scientific Chemicals

CAS: 57-83-0 Molecular Formula: C21H30O2 Molecular Weight (g/mol): 314.46 MDL Number: MFCD00003658 InChI Key: RJKFOVLPORLFTN-LEKSSAKUSA-N Synonym: progesterone,agolutin,luteohormone,pregn-4-ene-3,20-dione,crinone,4-pregnene-3,20-dione,corpus luteum hormone,progestin,syngesterone,utrogestan PubChem CID: 5994 ChEBI: CHEBI:17026 IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one SMILES: CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

PubChem CID 5994
CAS 57-83-0
Molecular Weight (g/mol) 314.46
ChEBI CHEBI:17026
MDL Number MFCD00003658
SMILES CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
Synonym progesterone,agolutin,luteohormone,pregn-4-ene-3,20-dione,crinone,4-pregnene-3,20-dione,corpus luteum hormone,progestin,syngesterone,utrogestan
IUPAC Name (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
InChI Key RJKFOVLPORLFTN-LEKSSAKUSA-N
Molecular Formula C21H30O2
6

Sodium cholate hydrate, 99%, Thermo Scientific Chemicals

CAS: 206986-87-0 Molecular Formula: C24H39NaO5 Molecular Weight (g/mol): 430.56 MDL Number: MFCD00064138 MFCD00003672 InChI Key: NRHMKIHPTBHXPF-TUJRSCDTSA-M PubChem CID: 23679061 IUPAC Name: sodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrate SMILES: [Na+].[H][C@@]12CC[C@H]([C@H](C)CCC([O-])=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C

EDGE
PubChem CID 23679061
CAS 206986-87-0
Molecular Weight (g/mol) 430.56
MDL Number MFCD00064138 MFCD00003672
SMILES [Na+].[H][C@@]12CC[C@H]([C@H](C)CCC([O-])=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C
IUPAC Name sodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrate
InChI Key NRHMKIHPTBHXPF-TUJRSCDTSA-M
Molecular Formula C24H39NaO5
7
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5alpha-Cholestane, 98+%

CAS: 481-21-0 Molecular Formula: C27H48 Molecular Weight (g/mol): 372.67 MDL Number: MFCD00066412 InChI Key: XIIAYQZJNBULGD-XWLABEFZSA-N Synonym: 5alpha-cholestane,5-alpha-cholestane,alpha-cholestane,cholestane,28,29,30-trinorlanostane,unii-u260hwn305,5alpha-cholestane 8ci,5?-cholestane,cholestane van PubChem CID: 2723895 ChEBI: CHEBI:35515 IUPAC Name: (5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C

EDGE
PubChem CID 2723895
CAS 481-21-0
Molecular Weight (g/mol) 372.67
ChEBI CHEBI:35515
MDL Number MFCD00066412
SMILES CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C
Synonym 5alpha-cholestane,5-alpha-cholestane,alpha-cholestane,cholestane,28,29,30-trinorlanostane,unii-u260hwn305,5alpha-cholestane 8ci,5?-cholestane,cholestane van
IUPAC Name (5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
InChI Key XIIAYQZJNBULGD-XWLABEFZSA-N
Molecular Formula C27H48
8
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Thermo Scientific Chemicals Cholic acid, 97%

CAS: 81-25-4 Molecular Formula: C24H40O5 MDL Number: MFCD00003672 InChI Key: BHQCQFFYRZLCQQ-OELDTZBJSA-N Synonym: cholic acid,cholalic acid,cholate,cholalin,colalin,cholsaeure,cholbam,cholicacid,cholic acid, 5beta,3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid PubChem CID: 221493 ChEBI: CHEBI:16359

EDGE
PubChem CID 221493
CAS 81-25-4
ChEBI CHEBI:16359
MDL Number MFCD00003672
Synonym cholic acid,cholalic acid,cholate,cholalin,colalin,cholsaeure,cholbam,cholicacid,cholic acid, 5beta,3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid
InChI Key BHQCQFFYRZLCQQ-OELDTZBJSA-N
Molecular Formula C24H40O5
9

Sodium taurocholate hydrate, 96%

CAS: 345909-26-4 Molecular Formula: C26H44NNaO7S Molecular Weight (g/mol): 537.688 MDL Number: MFCD00150819 InChI Key: JAJWGJBVLPIOOH-VXFFEJGCSA-M Synonym: sodium taurocholate,taurocholic acid sodium salt,taurocholate sodium,taurocholate sodium salt,unii-m6n3th81no,monosodium n-choloyltaurinate,m6n3th81no,monosodium taurocholate,sodium n-choloyltaurinate,monosodium taurocholic acid PubChem CID: 131632374 IUPAC Name: sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]

EDGE
PubChem CID 131632374
CAS 345909-26-4
Molecular Weight (g/mol) 537.688
MDL Number MFCD00150819
SMILES CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]
Synonym sodium taurocholate,taurocholic acid sodium salt,taurocholate sodium,taurocholate sodium salt,unii-m6n3th81no,monosodium n-choloyltaurinate,m6n3th81no,monosodium taurocholate,sodium n-choloyltaurinate,monosodium taurocholic acid
IUPAC Name sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
InChI Key JAJWGJBVLPIOOH-VXFFEJGCSA-M
Molecular Formula C26H44NNaO7S
10
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Thermo Scientific Chemicals Chenodeoxycholic acid, 98%

CAS: 474-25-9 Molecular Formula: C24H40O4 Molecular Weight (g/mol): 392.58 MDL Number: MFCD00064142 InChI Key: RUDATBOHQWOJDD-BSWAIDMHSA-N Synonym: chenodexycholic acid,chenodeoxycholate anion,chenodeoxycholate 1-,3alpha, 7alpha-dihydroxy-5beta-cholanic acid,3alpha,7alpha-dihydroxy-5beta-cholan-24-oate,3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid anion,4r-4-3r,5s,7r,8r,9s,10s,13r,14s,17r-10,13-dimethyl-3,7-bis oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta a phenanthren-17-yl pentanoate,4r-4-3r,5s,7r,8r,9s,10s,13r,14s,17r-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta a phenanthren-17-yl pentanoate PubChem CID: 9548590 ChEBI: CHEBI:36234 IUPAC Name: (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate SMILES: [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C

PubChem CID 9548590
CAS 474-25-9
Molecular Weight (g/mol) 392.58
ChEBI CHEBI:36234
MDL Number MFCD00064142
SMILES [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C
Synonym chenodexycholic acid,chenodeoxycholate anion,chenodeoxycholate 1-,3alpha, 7alpha-dihydroxy-5beta-cholanic acid,3alpha,7alpha-dihydroxy-5beta-cholan-24-oate,3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid anion,4r-4-3r,5s,7r,8r,9s,10s,13r,14s,17r-10,13-dimethyl-3,7-bis oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta a phenanthren-17-yl pentanoate,4r-4-3r,5s,7r,8r,9s,10s,13r,14s,17r-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta a phenanthren-17-yl pentanoate
IUPAC Name (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
InChI Key RUDATBOHQWOJDD-BSWAIDMHSA-N
Molecular Formula C24H40O4
11

Mifepristone, 98%, Thermo Scientific Chemicals

CAS: 84371-65-3 Molecular Formula: C29H35NO2 Molecular Weight (g/mol): 429.59 InChI Key: VKHAHZOOUSRJNA-GCNJZUOMSA-N Synonym: mifepristone,mifeprex,mifegyne,mifepriston,corlux,mifepristona,mifepristonum,korlym,mifepristonum latin,mifepristona spanish PubChem CID: 55245 ChEBI: CHEBI:50692 IUPAC Name: (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one SMILES: CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O

PubChem CID 55245
CAS 84371-65-3
Molecular Weight (g/mol) 429.59
ChEBI CHEBI:50692
SMILES CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O
Synonym mifepristone,mifeprex,mifegyne,mifepriston,corlux,mifepristona,mifepristonum,korlym,mifepristonum latin,mifepristona spanish
IUPAC Name (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
InChI Key VKHAHZOOUSRJNA-GCNJZUOMSA-N
Molecular Formula C29H35NO2
12
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Beclomethasone dipropionate, 97%, Thermo Scientific Chemicals

CAS: 9-8-5534 Molecular Formula: C28H37ClO7 Molecular Weight (g/mol): 521.04 InChI Key: KUVIULQEHSCUHY-XYWKZLDCSA-N Synonym: beclomethasone dipropionate,beclometasone dipropionate,beconase,beclovent,vancenase,beclazone,becloforte,beclomet,beclorhinol,propaderm PubChem CID: 134129500 IUPAC Name: [2-[(8R,10S,11S,13S,14S,16S,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate SMILES: CCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)C)OC(=O)CC

PubChem CID 134129500
CAS 9-8-5534
Molecular Weight (g/mol) 521.04
SMILES CCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)C)OC(=O)CC
Synonym beclomethasone dipropionate,beclometasone dipropionate,beconase,beclovent,vancenase,beclazone,becloforte,beclomet,beclorhinol,propaderm
IUPAC Name [2-[(8R,10S,11S,13S,14S,16S,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
InChI Key KUVIULQEHSCUHY-XYWKZLDCSA-N
Molecular Formula C28H37ClO7
13
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Medroxyprogesterone acetate, 97%, Thermo Scientific Chemicals

CAS: 71-58-9 Molecular Formula: C24H34O4 Molecular Weight (g/mol): 386.52 InChI Key: PSGAAPLEWMOORI-PEINSRQWSA-N Synonym: medroxyprogesterone acetate,medroxyprogesterone 17-acetate,metigestrona,provera,depo-provera,gestapuran,farlutin,perlutex,veramix,methylacetoxyprogesterone PubChem CID: 6279 ChEBI: CHEBI:6716 IUPAC Name: [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate SMILES: CC1CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C

PubChem CID 6279
CAS 71-58-9
Molecular Weight (g/mol) 386.52
ChEBI CHEBI:6716
SMILES CC1CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C
Synonym medroxyprogesterone acetate,medroxyprogesterone 17-acetate,metigestrona,provera,depo-provera,gestapuran,farlutin,perlutex,veramix,methylacetoxyprogesterone
IUPAC Name [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
InChI Key PSGAAPLEWMOORI-PEINSRQWSA-N
Molecular Formula C24H34O4
14
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Thermo Scientific Chemicals Cortisone, 98%

CAS: 53-06-5 Molecular Formula: C21H28O5 Molecular Weight (g/mol): 360.45 MDL Number: MFCD00003610 InChI Key: MFYSYFVPBJMHGN-ZPOLXVRWSA-N Synonym: cortisone,andreson,cortisal,cortisate,cortistal,cortivite,cortogen,cortone,kendall's compound e,adrenalex PubChem CID: 222786 ChEBI: CHEBI:16962 IUPAC Name: (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione SMILES: C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO

PubChem CID 222786
CAS 53-06-5
Molecular Weight (g/mol) 360.45
ChEBI CHEBI:16962
MDL Number MFCD00003610
SMILES C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
Synonym cortisone,andreson,cortisal,cortisate,cortistal,cortivite,cortogen,cortone,kendall's compound e,adrenalex
IUPAC Name (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
InChI Key MFYSYFVPBJMHGN-ZPOLXVRWSA-N
Molecular Formula C21H28O5
15

Calciferol, 97%, Thermo Scientific Chemicals

CAS: 50-14-6 Molecular Formula: C28H44O Molecular Weight (g/mol): 396.66 MDL Number: MFCD00166988,MFCD11656674 InChI Key: MECHNRXZTMCUDQ-VLOQVYPSSA-N Synonym: ergocalciferol,vitamin d2,calciferol,viosterol,oleovitamin d2,ercalciol,ergorone,detalup,condocaps,crystallina PubChem CID: 134129658 IUPAC Name: (1S)-3-[2-[(1S,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C

PubChem CID 134129658
CAS 50-14-6
Molecular Weight (g/mol) 396.66
MDL Number MFCD00166988,MFCD11656674
SMILES CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C
Synonym ergocalciferol,vitamin d2,calciferol,viosterol,oleovitamin d2,ercalciol,ergorone,detalup,condocaps,crystallina
IUPAC Name (1S)-3-[2-[(1S,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
InChI Key MECHNRXZTMCUDQ-VLOQVYPSSA-N
Molecular Formula C28H44O