Lithocholic Acid-d4
HIT217656448
sdf文件结构编辑类似物检索
HIT ID: HIT217656448
Cas No:
分子式: C24H40O3
分子量: 380.605
常用名: Lithocholic Acid-d4
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4R)-4-[(3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-hexadecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
IUPAC: (4R)-4-[(3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-hexadecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
SMILES: [2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)C(CC[C@H]4[C@@H]3CC[C@@H]2C([2H])([2H])[C@@H]1O)[C@H](C)CCC(O)=O
SMILES: [2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)C(CC[C@H]4[C@@H]3CC[C@@H]2C([2H])([2H])[C@@H]1O)[C@H](C)CCC(O)=O
InChI key: SMEROWZSTRWXGI-KGELDMHESA-N
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