12-KETOLITHOCHOLIC ACID ACETATE, METHYL ESTER
methyl 4-(3-acetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
| Molecular Formula | C27H42O5 |
|---|---|
| Molecular Weight | 446.6 g/mol |
Chemical Identifiers
| CAS Number | 5143-55-5 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(C(=O)CC3C2CCC4C3(CCC(C4)OC(=O)C)C)C |
| InChIKey | XHQVLSIVZIPGLE-UHFFFAOYSA-N |
📖 Product Overview
12-KETOLITHOCHOLIC ACID ACETATE, METHYL ESTER (CAS: 5143-55-5)
is a chemical compound with molecular formula C27H42O5
and molecular weight 446.6 g/mol.
Its IUPAC systematic name is methyl 4-(3-acetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate.
InChI Key: XHQVLSIVZIPGLE-UHFFFAOYSA-N.
SMILES: CC(CCC(=O)OC)C1CCC2C1(C(=O)CC3C2CCC4C3(CCC(C4)OC(=O)C)C)C.
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