(1S,2R,4aS,6aS,6bR,10R,12aR,12bR,14bS)-10-Hydroxy-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 3-表熊果酸

CAS 989-30-0 MFCD09752408

化学结构图

989-30-0
SMILES: C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C

化学属性

Mol. FormulaC30 H48 O3
Mol. Weight456.7
Boiling Point
Flash Point-
Melting PointNo Data Available

别名和识别编码

Chemical Name(1S,2R,4aS,6aS,6bR,10R,12aR,12bR,14bS)-10-Hydroxy-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
Synonym (+)-ursolic acid (3 beta)-3-hydroxyurs-12-en-28-oic acid (3alpha)-3-Hydroxy-urs-12-en-28-oic acid 3 Epi Ursolic Acid 3 Epiursolic Acid 3-epi-Ursolic Acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number989-30-0
Chemical Name Translation3-表熊果酸
PubChem Substance ID7163177
InChIInChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23-,24+,27+,28-,29-,30+/m1/s1
Canonical SMILES-
MDL Number-
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相关文献及参考

  • [1]. 3-Epiursolic Acid, et al. Triterpenoids as novel natural inhibitors of human cathepsin L. Chem Biodivers. 2014 Sep;11(9):1354-63.

安全信息

Storage condition N/A N/A℃ No Data Available

系列性分类

  1. Medical Research Areas
  2. Metabolism
  3. Cathepsin  (组织蛋白酶)

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