(5bS,6aS,7aR,8S,8aS,9aS,9bS,10aS,10bS)-8-ethyl-8-hydroxy-8a-isopropyl-10b-methyl-2,5,5b,6,6a,8,8a,9a,9b,10b-decahydrotris(oxireno)[2',3':4b,5;2'',3'':6,7;2''',3''':8a,9]phenanthro[1,2-c]furan-3(1H)-one | 1310058-38-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环己烷
• 英文名称: (5bS,6aS,7aR,8S,8aS,9aS,9bS,10aS,10bS)-8-ethyl-8-hydroxy-8a-isopropyl-10b-methyl-2,5,5b,6,6a,8,8a,9a,9b,10b-decahydrotris(oxireno)[2',3':4b,5;2'',3'':6,7;2''',3''':8a,9]phenanthro[1,2-c]furan-3(1H)-one
• CAS: 1310058-38-8
• 化学式: C₂₂H₂₈O₆
• 分子量: 388.461
• InChiKey: OXOARINFPGVEDF-DHLDUQRVSA-N

物化性质

• 沸点：
  598.6±50.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.88
• 重原子数：
  28.0
• 可旋转键数：
  2.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  84.12
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  乙基溴化镁 、 雷公藤内酯酮 反应 3.0h， 以29%的产率得到(5bS,6aS,7aR,8S,8aS,9aS,9bS,10aS,10bS)-8-ethyl-8-hydroxy-8a-isopropyl-10b-methyl-2,5,5b,6,6a,8,8a,9a,9b,10b-decahydrotris(oxireno)[2',3':4b,5;2'',3'':6,7;2''',3''':8a,9]phenanthro[1,2-c]furan-3(1H)-one
  参考文献：
  名称：

  Semisynthesis of triptolide analogues: Effect of γ-lactone and C-14 substituents on cytotoxic activities

  摘要：

  Triptolide gamma-lactone and C-14 analogues were prepared and evaluated cytotoxity against human lung adenocarcinoma epithelial A549 cells and human colon adenocarcinoma HT-29 cells. gamma-Lactone substructure and C-14 substituents affected the biological activities significantly. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.025