3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Molecular Formula:
C24H38O5
InChI: InChI=1/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-19,22,25-26H,4-12H2,1-3H3,(H,28,29)/t13u,14-,15+,16u,17u,18u,19+,22u,23u,24u/m0/s1/f/h28H
InChIKey: InChIKey=MIHNUBCEFJLAGN-LRLGMILWDX
SMILES: CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(CC4C3(CCC(C4)O)C)O)C
Names:
C01292
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
4-[(3R,5S,7R)-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
Registries:
PubChem CID 439472
PubChem ID 4511
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