Chemical Compound

(1R,2S,3S,4R,5S,6R,7R,8R,9R,12S,13S)-4,5-bis(acetyloxy)-3,12,13-trihydroxy-3,9,13-trimethyl-6-(propan-2-yl)-15-oxatricyclo[6.6.1.02,7]pentadecan-9-yl butanoate

(1R,2S,3S,4R,5S,6R,7R,8R,9R,12S,13S)-4,5-bis(acetyloxy)-3,12,13-trihydroxy-3,9,13-trimethyl-6-(propan-2-yl)-15-oxatricyclo[6.6.1.02,7]pentadecan-9-yl butanoate 结构式
Primary record

(1R,2S,3S,4R,5S,6R,7R,8R,9R,12S,13S)-4,5-bis(acetyloxy)-3,12,13-trihydroxy-3,9,13-trimethyl-6-(propan-2-yl)-15-oxatricyclo[6.6.1.02,7]pentadecan-9-yl butanoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
44179335
SMILES
CCCC(=O)O[C@@]1(CC[C@@H]([C@@](C[C@@H]2[C@@H]3[C@H]([C@H]1O2)[C@H]([C@@H]([C@H]([C@@]3(C)O)OC(=O)C)OC(=O)C)C(C)C)(C)O)O)C
Canonical SMILES
CCCC(=O)O[C@]1(C)CC[C@H](O)[C@@](C)(O)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 G
  • J2.744.883F
  • (1R,2R,3R,6S,7S,9R,10S,11S,12R,13S,14R)-2,9-Epoxy-3-(butanoyloxy)-3,7,11-trimethyl-12,13-diacetoxy-14-isopropylbicyclo[8.4.0]tetradecane-6,7,11-triol
  • (1R,2S,3S,4R,5S,6R,7R,8R,9R,12S,13S)-4,5-bis(acetyloxy)-3,12,13-trihydroxy-3,9,13-trimethyl-6-(propan-2-yl)-15-oxatricyclo[6.6.1.02,7]pentadecan-9-yl butanoate