Ursocholic acid
HIT212029823
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HIT ID: HIT212029823
Cas No: 2955-27-3
分子式: C24H40O5
分子量: 408.579
常用名: Ursocholic acid
氢键受体数 (HBA): 5
氢键供体数 (HBD): 4
LogP: 2.4824944
IUPAC: (4R)-4-[(1R,3aS,3bR,4S,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
IUPAC: (4R)-4-[(1R,3aS,3bR,4S,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
SMILES: C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
SMILES: C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChI key: BHQCQFFYRZLCQQ-UTLSPDKDSA-N
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