Compound N026-0109
HIT211512888
sdf文件结构编辑类似物检索
HIT ID: HIT211512888
Cas No:
分子式: C32H48O5
分子量: 512.731
常用名: Compound N026-0109
氢键受体数 (HBA): 8
氢键供体数 (HBD): 1
LogP: 5.6205
IUPAC: (2S,4aS,6aS,6bR,10S,12aS,14bR)-10-(acetyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
IUPAC: (2S,4aS,6aS,6bR,10S,12aS,14bR)-10-(acetyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
SMILES: [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)C2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)C3CC[C@@]12C)C(O)=O |t:15,@:27|
SMILES: [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)C2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)C3CC[C@@]12C)C(O)=O |t:15,@:27|
InChI key: FTQDJVZNPJRVPG-DGWUYHICSA-N
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6602-3周 购物车
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