Chemical Compound

(1R,3R,5S,8R,9R,10R,11R,12S,13R,14S,15S)-12,13-bis(acetyloxy)-14-hydroxy-3,8,14-trimethyl-11-(propan-2-yl)-4,16-dioxatetracyclo[7.6.1.03,5.010,15]hexadecan-8-yl butanoate

(1R,3R,5S,8R,9R,10R,11R,12S,13R,14S,15S)-12,13-bis(acetyloxy)-14-hydroxy-3,8,14-trimethyl-11-(propan-2-yl)-4,16-dioxatetracyclo[7.6.1.03,5.010,15]hexadecan-8-yl butanoate 结构式
Primary record

(1R,3R,5S,8R,9R,10R,11R,12S,13R,14S,15S)-12,13-bis(acetyloxy)-14-hydroxy-3,8,14-trimethyl-11-(propan-2-yl)-4,16-dioxatetracyclo[7.6.1.03,5.010,15]hexadecan-8-yl butanoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101795730
SMILES
CCCC(=O)O[C@@]1(CC[C@H]2[C@](O2)(C[C@@H]3[C@@H]4[C@H]([C@H]1O3)[C@H]([C@@H]([C@H]([C@@]4(C)O)OC(=O)C)OC(=O)C)C(C)C)C)C
Canonical SMILES
CCCC(=O)O[C@]1(C)CC[C@@H]2O[C@]2(C)C[C@H]2O[C@@H]1[C@@H]1[C@@H](C(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]12

名称与同义词

  • Simplexin L
  • J2.950.676K
  • (1beta,10beta)-4,8,14-Trimethyl-8beta-(butanoyloxy)-11beta-isopropyl-12alpha,13beta-diacetoxy-2alpha,9alpha:4beta,5beta-diepoxybicyclo[8.4.0]tetradecane-14beta-ol
  • (1R,3R,5S,8R,9R,10R,11R,12S,13R,14S,15S)-12,13-bis(acetyloxy)-14-hydroxy-3,8,14-trimethyl-11-(propan-2-yl)-4,16-dioxatetracyclo[7.6.1.03,5.010,15]hexadecan-8-yl butanoate