Pristimerin (2R,4aS,6aS,12bR,14aS,14bR)-10-羟基-2,4a,6a,9,12b,14a-六甲基-11-氧代-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-十四氢苉-2-羧酸甲酯
CAS 1258-84-0 MFCD01711331
化学结构图
SMILES: COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
化学属性
| Mol. Formula | C30H40O4 |
|---|---|
| Mol. Weight | 464.64 |
| Density | |
| Boiling Point | |
| Melting Point |
别名和识别编码
| Chemical Name | Methyl (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylate |
|---|---|
| CAS Number | 1258-84-0 |
| Synonym | (9 beta,13 alpha,14 beta, 20 alpha)-3-hydroxy-9,13-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid (9b,13a,14b,20a)-3-Hydroxy-9,13-dimethyl-2-oxo-24,25,26 -trinoroleana-1(10),3,5,7-tertraen-29-oic acid methyl ester (9b,13a,14b,20a)-3-Hydroxy-9,13-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tertraen-29-oic acid methyl ester 3-hydroxy-24-nor-2-oxo-1(10),3,5,7-friedelatetraen-29-oic acid methyl ester Pristimerin celastrol methyl ester pristimerin |
| MDL Number | MFCD01711331 |
| Chemical Name Translation | (2R,4aS,6aS,12bR,14aS,14bR)-10-羟基-2,4a,6a,9,12b,14a-六甲基-11-氧代-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-十四氢苉-2-羧酸甲酯 |
| PubChem Substance ID | 159516 |
| InChI | InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1 |
| LabNetwork Molecule ID | LN01312796 |
| EC Number | |
| Beilstein Registry Number |
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分类
- {SNA} Bioactive Small Molecules, Cell Biology, Nutrition Research, P, Phytochemicals in Herbal Medicine or Traditional Chinese Medicine (TCM)
- {SNA} Bioactive Small Molecule Alphabetical Index, PI-PZ, Phytochemicals in Herbal Medicine or Traditional Chinese Medicine (TCM), 生物活性小分子, 细胞生物学, 营养研究
- {SNA} Bioactive Small Molecules, Nutrition Research, P, Phytochemicals in Herbal Medicine or Traditional Chinese Medicine (TCM), 细胞生物学
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