Methyl 12-(acetyloxy)-3-oxocholan-24-oate
methyl 4-(12-acetyloxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
Also Known As: Methyl 3-keto-12-acetoxycholanate|Methyl 12-(acetyloxy)-3-oxocholan-24-oate|12|A-Acetyloxy-3-oxo-5|A-cholan-24-oic acid methyl ester|methyl 4-(12-acetyloxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
CAS: 7753-75-5
| Molecular Formula | C27H42O5 |
|---|---|
| Molecular Weight | 446.30322 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.30322 |
| Monoisotopic Mass | 446.30322 |
| Heavy Atoms | 32 |
| Complexity | 761.0 |
Chemical Identifiers
| CAS Number | 7753-75-5 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(C(CC3C2CCC4C3(CCC(=O)C4)C)OC(=O)C)C |
| InChIKey | KNHGHMDIHVHLKX-UHFFFAOYSA-N |
Product Overview
Methyl 12-(acetyloxy)-3-oxocholan-24-oate (CAS 7753-75-5), with molecular formula C27H42O5 and molecular weight 446.30322 g/mol. IUPAC: methyl 4-(12-acetyloxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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