HIT ID: HIT218769203

Cas No:

分子式: C24H36O5

分子量: 404.547

常用名: 4-{7-hydroxy-9a,11a-dimethyl-4,11-dioxo-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acid, 7,12-Diketolithocholic Acid

氢键受体数 (HBA): 5

氢键供体数 (HBD): 2

LogP: 2.98

IUPAC: 4-{7-hydroxy-9a,11a-dimethyl-4,11-dioxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acid

SMILES: CC(CCC(O)=O)C1CCC2C3C(CC(=O)C12C)C1(C)CCC(O)CC1CC3=O

InChI key: MAFJMPFLJJCSTB-UHFFFAOYSA-N