Lithocholenic acid
HIT214319772
sdf文件结构编辑类似物检索
HIT ID: HIT214319772
Cas No: 1053-37-8
分子式: C24H38O3
分子量: 374.565
常用名: Lithocholenic acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4R)-4-[(1R,3aS,3bS,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,11aH-cyclopenta[a]phenanthren-1-yl]pentanoic acid
IUPAC: (4R)-4-[(1R,3aS,3bS,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,11aH-cyclopenta[a]phenanthren-1-yl]pentanoic acid
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C=C[C@]12C)[C@H](C)CCC(O)=O |c:23|
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C=C[C@]12C)[C@H](C)CCC(O)=O |c:23|
InChI key: FEGCPHIPSRBREU-HVATVPOCSA-N
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