Name: 3-Epicinobufagin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218887280
Cas No:36121-84-3
常用名:3-Epicinobufagin
IUPAC:(1R,2S,4R,5R,6R,7R,10S,11S,14R,16R)-14-hydroxy-7,11-dimethyl-6-(2-oxo-2H-pyran-5-yl)-3-oxapentacyclo[8.8.0.0^{2,4}.0^{2,7}.0^{11,16}]octadecan-5-yl acetate
IUPAC:(1R,2S,4R,5R,6R,7R,10S,11S,14R,16R)-14-hydroxy-7,11-dimethyl-6-(2-oxo-2H-pyran-5-yl)-3-oxapentacyclo[8.8.0.0^{2,4}.0^{2,7}.0^{11,16}]octadecan-5-yl acetate
InChI key:SCULJPGYOQQXTK-NPYRLWOYSA-N

分子式:C26H34O6
分子量:442.552
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12O[C@]11[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]1(C)[C@H]([C@H]2OC(C)=O)c1ccc(=O)oc1
SMILES:[H][C@]12O[C@]11[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]1(C)[C@H]([C@H]2OC(C)=O)c1ccc(=O)oc1

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