Name: Ajugarin I
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212714535
Cas No:62640-05-5
常用名:Ajugarin I
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
InChI key:RNYBNBANBCQZON-PGQNDPHJSA-N

分子式:C24H34O7
分子量:434.529
氢键供体数 (HBD):0
氢键受体数 (HBA):4
LogP:2.6924727
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|

Ajugarin I is a clerodane diterpene, the major component of the shrub Ajuga remota.

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