Methyl (3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate
methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7-acetyloxy-3,12-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
Also Known As: EINECS 231-078-6|methyl -7-acetoxy-3,12-dihydroxycholan-24-oate|Methyl (3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate|methyl 4-(7-acetyloxy-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,|methyl(3|A,5|A,7|A,12|A)-7-(acetyloxy)-3,12-dihydroxycholan-24-oate|3alpha,12alpha-Dihydroxy-7alpha-acetoxy-5beta-cholan-24-oic acid methyl ester|7alpha-(Acetyloxy)-3alpha,12alpha-dihydroxy-5beta-cholan-24-oic acid methyl ester|methyl (4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4-(acetyloxy)-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate|methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7-acetyloxy-3,12-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
| Molecular Formula | C27H44O6 |
|---|---|
| Molecular Weight | 464.31378 g/mol |
| LogP | 4.11 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.31378 |
| Heavy Atoms | 33 |
| Complexity | 752.9 |
Chemical Identifiers
| CAS Number | 7432-44-2 |
|---|---|
| SMILES | C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)OC(=O)C)O)C |
Product Overview
Methyl (3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate (CAS 7432-44-2), with molecular formula C27H44O6 and molecular weight 464.31378 g/mol. IUPAC: methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7-acetyloxy-3,12-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.
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