Primary record
(1R,2S,3S,4R,5S,6R,7R,8R,9R,12S,13S)-5,12-bis(acetyloxy)-9-(butanoyloxy)-3,13-dihydroxy-3,9,13-trimethyl-6-(propan-2-yl)-15-oxatricyclo[6.6.1.02,7]pentadecan-4-yl butanoate
- 库存
- 550 克
- 纯度
- 98.1 %
化合物标识与属性
- PubChem CID
- 101795728
- SMILES
- CCCC(=O)O[C@@H]1[C@H]([C@@H]([C@@H]2[C@H]([C@]1(C)O)[C@H]3C[C@]([C@H](CC[C@@]([C@@H]2O3)(C)OC(=O)CCC)OC(=O)C)(C)O)C(C)C)OC(=O)C
- Canonical SMILES
- CCCC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](C(C)C)[C@@H]2[C@@H]([C@H]3C[C@](C)(O)[C@@H](OC(C)=O)CC[C@@](C)(OC(=O)CCC)[C@@H]2O3)[C@]1(C)O
名称与同义词
- Simplexin J
- SCHEMBL31355038
- J2.950.674D
- (1beta,10beta)-4,8,14-Trimethyl-5beta,12alpha-diacetoxy-8beta,13beta-bis(butanoyloxy)-11beta-isopropyl-2alpha,9alpha-epoxybicyclo[8.4.0]tetradecane-4alpha,14beta-diol
- (1R,2S,3S,4R,5S,6R,7R,8R,9R,12S,13S)-5,12-bis(acetyloxy)-9-(butanoyloxy)-3,13-dihydroxy-3,9,13-trimethyl-6-(propan-2-yl)-15-oxatricyclo[6.6.1.02,7]pentadecan-4-yl butanoate