Methyl 3,7,12-trioxocholan-24-oate
methyl 4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
Also Known As: Methyl 3,7,12-trioxocholan-24-oate|methyl 4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoate|Cholan-24-oic acid, 3,7,12-trioxo-, methyl ester|5-beta-CHOLANIC ACID-3,7,12-TRIONE METHYL ESTER|(4S)-methyl 4-((5S,10S,13R,17R)-10,13-dimethyl-3,7,12-trioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
| Molecular Formula | C25H36O5 |
|---|---|
| Molecular Weight | 416.2563 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.2563 |
| Monoisotopic Mass | 416.2563 |
| Heavy Atoms | 30 |
| Complexity | 772.0 |
Chemical Identifiers
| CAS Number | 7727-82-4 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C |
| InChIKey | ZNRVRJLOYAQJBW-UHFFFAOYSA-N |
Product Overview
Methyl 3,7,12-trioxocholan-24-oate (CAS 7727-82-4), with molecular formula C25H36O5 and molecular weight 416.2563 g/mol. IUPAC: methyl 4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoate.
Methyl 3,7,12-trioxocholan-24-oate is a custom synthesis product. We offer services from milligram to kilogram scale.
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