3-oxo-4-cholestenoic acid, (25R)-cholest-4-en-26-oic acid, 3-oxo, powder
6-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-methylheptanoic acid
Also Known As: delta4-Dafachronic acid|Delta(4)-dafachronic acid|3-Oxocholest-4-en-26-oic acid|3-oxo-4-cholestenoic acid, (25R)-cholest-4-en-26-oic acid, 3-oxo, powder|6-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-methylheptanoic acid
CAS: 23017-97-2
| Molecular Formula | C27H42O3 |
|---|---|
| Molecular Weight | 414.3134 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.3134 |
| Monoisotopic Mass | 414.3134 |
| Heavy Atoms | 30 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 23017-97-2 |
|---|---|
| SMILES | CC(CCCC(C)C(=O)O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C |
| InChIKey | PSXQJZDFWDKBIP-UHFFFAOYSA-N |
Product Overview
3-oxo-4-cholestenoic acid, (25R)-cholest-4-en-26-oic acid, 3-oxo, powder (CAS 23017-97-2), with molecular formula C27H42O3 and molecular weight 414.3134 g/mol. IUPAC: 6-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-methylheptanoic acid.
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.
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