3Alpha-Hydroxyurs-12-En-28-Oic Acid 3-表熊果酸
CAS 989-30-0 MFCD09752408
化学结构图
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. Formula | C30 H48 O3 |
|---|---|
| Mol. Weight | 456.7 |
| Boiling Point | |
| Flash Point | - |
| Melting Point | No 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 {PubChem} Oleanolate, Sodium olean-12-en-28-oic acid, 3-hydroxy-, sodium salt (1:1), (3beta)- sodium oleanolate ursolic acid ursolic acid monosodium salt ursolic acid sodium salt ursolic acid, (3beta)-isomer, 2-(14)C-labeled ursolic acid, (3beta)-isomer, monopotassium salt {} {PubChem} Merotaine {} {} {PubChem} 3beta-ursolic acid {} {} {} {PubChem} 3beta Ursolic Acid {} {} {} {} {PubChem} 3alpha-ursolic acid {} {} {} {} {} {PubChem} 3alpha Ursolic Acid {} {} {} {} {} {} {PubChem} 3-epiursolic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {PubChem} 3-epi-ursolic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} |
| CAS Number | 989-30-0 |
| Chemical Name Translation | 3-表熊果酸 |
| PubChem Substance ID | 7163177 |
| InChI | InChI=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 | C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O |
| 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.
