Name: Ursolic acid acetate
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212657904
Cas No:7372-30-7
常用名:Ursolic acid acetate
别名:熊果酸乙酸酯, Acetylursolic acid, 3-Acetylursolic Acid
别名:熊果酸乙酸酯, Acetylursolic acid, 3-Acetylursolic Acid
IUPAC:(1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(acetyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
IUPAC:(1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(acetyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
InChI key:PHFUCJXOLZAQNH-OTMOLZNZSA-N

分子式:C32H50O4
分子量:498.748
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:7.0229306
SMILES:C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |c:9|
SMILES:C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |c:9|

Ursolic acid acetate (Acetylursolic acid) 分离于 Ficus microcarpa 的气根中，对 KB 细胞显示细胞毒性(IC50:8.4 μM)。

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