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25-Cyclohexyl-4'-O-de(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-5-O-demethyl-25-de(1-methylpropyl)-Avermectin A1a, TRC
Specifications
Specifications
| Chemical Name or Material | 25-Cyclohexyl-4'-O-de(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-5-O-demethyl-25-de(1-methylpropyl)-Avermectin A1a |
| CAS | 165108-44-1 |
| Molecular Formula | C43 H62 O11 |
| Quantity | 50 mg |
| Synonym | Doramectin Monosaccharide |
| InChI Formula | InChI=1S/C43H62O11/c1-24-11-10-14-30-23-49-40-36(44)27(4)19-33(43(30,40)47)41(46)51-32-20-31(16-15-25(2)38(24)52-35-21-34(48-6)37(45)28(5)50-35)53-42(22-32)18-17-26(3)39(54-42)29-12-8-7-9-13-29/h10-11,14-15,17-19,24,26,28-29,31-40,44-45,47H,7-9,12-13,16,20-23H2,1-6H3/b11-10+,25-15+,30-14-/t24-,26-,28-,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,42+,43+/m0/s1 |
| SMILES | CO[C@H]1C[C@H](O[C@H]2[C@@H](C)\C=C\C=C/3\CO[C@@H]4[C@H](O)C(=C[C@@H](C(=O)O[C@H]5C[C@@H](C\C=C\2/C)O[C@@]6(C5)O[C@H](C7CCCCC7)[C@@H](C)C=C6)[C@]34O)C)O[C@@H](C)[C@@H]1O |
| IUPAC Name | (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-cyclohexyl-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one |
| Molecular Weight (g/mol) | 754.94 |
| Formula Weight | 754.4292 |
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