(5bS,6aS,7aR,8R,8aS,9aS,9bS,10aS,10bS)-8-((tert-butyldimethylsilyl)oxy)-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 | 1310058-31-1

• 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,8R,8aS,9aS,9bS,10aS,10bS)-8-((tert-butyldimethylsilyl)oxy)-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: 1310058-31-1
• 化学式: C₂₆H₃₈O₆Si
• 分子量: 474.67
• InChiKey: HQDKYBNRINQSNS-FLUIZCFTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.13
• 重原子数：
  33.0
• 可旋转键数：
  3.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  73.12
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (5bS,6aS,7aR,8R,8aS,9aS,9bS,10aS,10bS)-8-((tert-butyldimethylsilyl)oxy)-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 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 生成 (5bS,6aS,7aS,8R,8aR,9aS,9bS,10aS,10bS)-8a-isopropyl-3,10b-dimethyl-1,2,5b,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-8-ol
  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
• 作为产物：
  描述：

  雷公藤内酯酮 在 2,6-二甲基吡啶 、 溴丁基-镁 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 (5bS,6aS,7aR,8R,8aS,9aS,9bS,10aS,10bS)-8-((tert-butyldimethylsilyl)oxy)-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