Sulfolithocholic acid
HIT212718363
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HIT ID: HIT212718363
Cas No: 34669-57-3
分子式: C24H40O6S
分子量: 456.64
常用名: Sulfolithocholic acid
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 5.077056
IUPAC: (4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(sulfooxy)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
IUPAC: (4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(sulfooxy)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
SMILES: [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O
SMILES: [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O
InChI key: AXDXVEYHEODSPN-HVATVPOCSA-N
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