Name: 14-Deoxy-11-oxoandrographolide
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212687482
Cas No:42895-57-8
常用名:14-Deoxy-11-oxoandrographolide
IUPAC:3-{2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]-2-oxoethyl}-2,5-dihydrofuran-2-one
IUPAC:3-{2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]-2-oxoethyl}-2,5-dihydrofuran-2-one
InChI key:WZHWNAKOQGIEEB-NDLGOLERSA-N

分子式:C20H28O5
分子量:348.439
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:1.8139747
SMILES:C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2C(=O)CC1=CCOC1=O |t:21|
SMILES:C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2C(=O)CC1=CCOC1=O |t:21|

14-Deoxy-11-oxoandrographolide is a natural product from Andrographis paniculata

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