(3R,6S,6aR,9R,10S,11S,11aS,12R,12aS,14S)-1-ethyl-3,10-dimethyl-2-oxo-1,2,3,4,5,6,8,9,10,11,12,12a-dodecahydro-3,6a,12-(epiethane[1,1,2]triyl)-9,11a-methanoazuleno[2,1-b]azocine-6,8,11-triyl triacetate | 76193-54-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (3R,6S,6aR,9R,10S,11S,11aS,12R,12aS,14S)-1-ethyl-3,10-dimethyl-2-oxo-1,2,3,4,5,6,8,9,10,11,12,12a-dodecahydro-3,6a,12-(epiethane[1,1,2]triyl)-9,11a-methanoazuleno[2,1-b]azocine-6,8,11-triyl triacetate
• CAS: 76193-54-9
• 化学式: C₂₈H₃₇NO₇
• 分子量: 499.604
• InChiKey: VJHRVCGTMXVXJU-NFCYELICSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.03
• 重原子数：
  36.0
• 可旋转键数：
  4.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  99.21
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (3R,6S,6aR,9R,10S,11S,11aS,12R,12aS,14S)-1-ethyl-3,10-dimethyl-2-oxo-1,2,3,4,5,6,8,9,10,11,12,12a-dodecahydro-3,6a,12-(epiethane[1,1,2]triyl)-9,11a-methanoazuleno[2,1-b]azocine-6,8,11-triyl triacetate 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 生成 (3R,6S,6aR,9R,10S,11S,11aS,12R,12aS,14S)-1-ethyl-6,8,11-trihydroxy-3,10-dimethyl-3,4,5,6,8,9,10,11,12,12a-decahydro-3,6a,12-(epiethane[1,1,2]triyl)-9,11a-methanoazuleno[2,1-b]azocin-2(1H)-one
  参考文献：
  名称：

  Sethi, Sat Paul; Atwal, Karnail S.; Marini-Bettolo, Rinaldo M., Canadian Journal of Chemistry, 1980, vol. 58, p. 1889 - 1891

  摘要：

  DOI：
• 作为产物：
  描述：

  溶剂黄146 、 (3R,6S,6aR,8S,9S,10S,10aS,11R,11aS,13S,15R)-1-ethyl-3,9-dimethyl-15-((methylsulfonyl)oxy)-2-oxo-1,2,3,4,5,6,9,10,11,11a-decahydro-8H-3,6a,11-(epiethane[1,1,2]triyl)-8,10a-ethanoindeno[2,1-b]azocine-6,10-diyl diacetate 反应 2.5h， 以95%的产率得到(3R,6S,6aR,9R,10S,11S,11aS,12R,12aS,14S)-1-ethyl-3,10-dimethyl-2-oxo-1,2,3,4,5,6,8,9,10,11,12,12a-dodecahydro-3,6a,12-(epiethane[1,1,2]triyl)-9,11a-methanoazuleno[2,1-b]azocine-6,8,11-triyl triacetate
  参考文献：
  名称：

  Sethi, Sat Paul; Atwal, Karnail S.; Marini-Bettolo, Rinaldo M., Canadian Journal of Chemistry, 1980, vol. 58, p. 1889 - 1891

  摘要：

  DOI：