Bryonolic acid
HIT212709708
sdf文件结构编辑类似物检索
HIT ID: HIT212709708
Cas No: 24480-45-3
分子式: C30H48O3
分子量: 456.711
常用名: Bryonolic acid
氢键受体数 (HBA): 3
氢键供体数 (HBD): 2
LogP: 6.5511756
IUPAC: (2S,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydropicene-2-carboxylic acid
IUPAC: (2S,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydropicene-2-carboxylic acid
SMILES: [H][C@@]12CCC3=C(CC[C@@]4(C)[C@]5([H])C[C@](C)(CC[C@]5(C)CC[C@]34C)C(O)=O)[C@@]1(C)CC[C@H](O)C2(C)C |t:4|
SMILES: [H][C@@]12CCC3=C(CC[C@@]4(C)[C@]5([H])C[C@](C)(CC[C@]5(C)CC[C@]34C)C(O)=O)[C@@]1(C)CC[C@H](O)C2(C)C |t:4|
InChI key: BHVJSLPLFOAMEV-UHIFYLTQSA-N
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TargetMol
SC
19801-3天99.93% 购物车
AnyMole
SC
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