8-deepoxyangeloyl-8-<3-chloro-2-hydroxy-2-methylbutyroyl>enhydrin

• 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: 8-deepoxyangeloyl-8-<3-chloro-2-hydroxy-2-methylbutyroyl>enhydrin
• 英文别名: Enhydrin chlorohydrin；methyl (1S,2S,4R,7E,9S,10S,11R)-9-acetyloxy-10-(3-chloro-2-hydroxy-2-methylbutanoyl)oxy-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-8-carboxylate
• 化学式: C₂₃H₂₉ClO₁₀
• 分子量: 500.93
• InChiKey: MSWKJHPZUAQCMP-WJJIXFIJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  138
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 8-deepoxyangeloyl-8-<3-chloro-2-hydroxy-2-methylbutyroyl>enhydrin 在 吡啶 作用下， 生成 8-deepoxyangeloyl-8-<3-chloro-2-acetoxy-2-methylbutyroyl>enhydrin
  参考文献：
  名称：

  Sesquiterpene lactones from Enhydra fluctuans

  摘要：

  The extract of the leaves of Enhydra fluctuans gave, in addition to three known sesquiterpene lactones, two new chlorine containing melampolides. The structure and stereochemistry of the new compounds were elucidated by NMR techniques and chemical reactions.

  DOI：

  10.1016/0031-9422(94)00705-x
• 作为产物：
  描述：

  enhydrine 在 盐酸 作用下， 以 甲醇 为溶剂， 生成 8-deepoxyangeloyl-8-<3-chloro-2-hydroxy-2-methylbutyroyl>enhydrin
  参考文献：
  名称：

  Sesquiterpene lactones from Enhydra fluctuans

  摘要：

  The extract of the leaves of Enhydra fluctuans gave, in addition to three known sesquiterpene lactones, two new chlorine containing melampolides. The structure and stereochemistry of the new compounds were elucidated by NMR techniques and chemical reactions.

  DOI：

  10.1016/0031-9422(94)00705-x