Ajugarin I
HIT212714535
sdf文件结构编辑类似物检索
HIT ID: HIT212714535
Cas No: 62640-05-5
分子式: C24H34O7
分子量: 434.529
常用名: Ajugarin I
氢键受体数 (HBA): 4
氢键供体数 (HBD): 0
LogP: 2.6924727
IUPAC: [(1R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-5,6-dimethyl-5-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-octahydro-2H-spiro[naphthalene-1,2'-oxiran]-8a-yl]methyl acetate
IUPAC: [(1R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-5,6-dimethyl-5-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-octahydro-2H-spiro[naphthalene-1,2'-oxiran]-8a-yl]methyl acetate
SMILES: [H][C@]12CCC[C@]3(CO3)[C@]1(COC(C)=O)[C@H](C[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1)OC(C)=O |t:25|
SMILES: [H][C@]12CCC[C@]3(CO3)[C@]1(COC(C)=O)[C@H](C[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1)OC(C)=O |t:25|
InChI key: RNYBNBANBCQZON-PGQNDPHJSA-N
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TargetMol
SC
10600 购物车
Mcule
SC
68914-5周 购物车
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