Hyocholic acid
HIT214312903
sdf文件结构编辑类似物检索
HIT ID: HIT214312903
Cas No: 547-75-1
分子式: C24H40O5
分子量: 408.579
常用名: Hyocholic acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4R)-4-[(1R,3aS,4S,5R,5aR,7R,9aR,9bS,11aR)-4,5,7-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
IUPAC: (4R)-4-[(1R,3aS,4S,5R,5aR,7R,9aR,9bS,11aR)-4,5,7-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]2C3[C@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
SMILES: C[C@H](CCC(O)=O)[C@H]1CC[C@H]2C3[C@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI key: DKPMWHFRUGMUKF-OKSFXGGISA-N
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