12-ketoursodeoxycholic acid
(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
| Molecular Formula | C24H38O5 |
|---|---|
| Molecular Weight | 406.6 g/mol |
Chemical Identifiers
| CAS Number | 81873-91-8 |
|---|---|
| SMILES | CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(CC4C3(CCC(C4)O)C)O)C |
| InChIKey | MIHNUBCEFJLAGN-RAEYQWLJSA-N |
📖 Product Overview
12-ketoursodeoxycholic acid (CAS: 81873-91-8)
is a chemical compound with molecular formula C24H38O5
and molecular weight 406.6 g/mol.
Its IUPAC systematic name is (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid.
InChI Key: MIHNUBCEFJLAGN-RAEYQWLJSA-N.
SMILES: CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(CC4C3(CCC(C4)O)C)O)C.
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