Ursonic Acid
HIT212071053
sdf文件结构编辑类似物检索
HIT ID: HIT212071053
Cas No: 6246-46-4
分子式: C30H46O3
分子量: 454.695
常用名: Ursonic Acid
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 7.1453333
IUPAC: (1S,2R,4aS,6aS,6bR,8aR,12aR,12bR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
IUPAC: (1S,2R,4aS,6aS,6bR,8aR,12aR,12bR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
SMILES: [H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |t:15|
SMILES: [H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |t:15|
InChI key: MUCRYNWJQNHDJH-OADIDDRXSA-N
共显示4个结果
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TargetMol
SC
1391-3天 购物车
PharmaBlock
BB
172.553-6周 购物车
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Mcule
SC
1784-5周 购物车
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