Deoxycholic-2,2,4,4-d4 Acid
HIT212761894
sdf文件结构编辑类似物检索
HIT ID: HIT212761894
Cas No: 112076-61-6
分子式: C24H40O4
分子量: 396.604
常用名: Deoxycholic-2,2,4,4-d4 Acid
氢键受体数 (HBA): 4
氢键供体数 (HBD): 3
LogP: 3.7912593
IUPAC: (4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
IUPAC: (4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-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]3C[C@H](O)[C@]4(C)[C@H](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]3C[C@H](O)[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC[C@@H]2C([2H])([2H])[C@@H]1O)[C@H](C)CCC(O)=O
InChI key: KXGVEGMKQFWNSR-FCSCGBJGSA-N
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