20-ethyl-4-formyl-7,8-methylenebisoxy-1α,6β,14α,16β-tetramethoxyaconitane | 372190-13-1

• 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: 20-ethyl-4-formyl-7,8-methylenebisoxy-1α,6β,14α,16β-tetramethoxyaconitane
• 英文别名: elatidal
• CAS: 372190-13-1
• 化学式: C₂₆H₃₉NO₇
• 分子量: 477.598
• InChiKey: PVBLZIRBRUIEOQ-FQCWPTJPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  34.0
• 可旋转键数：
  6.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  75.69
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  20-ethyl-4-formyl-7,8-methylenebisoxy-1α,6β,14α,16β-tetramethoxyaconitane 在 sodium tetrahydroborate 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 1.5h， 生成 4-allylaminomethyl-20-ethyl-7,8-methylenebisoxy-1α,6β,14α,16β-tetramethoxyaconitane
  参考文献：
  名称：

  摘要：

  Elatidam, elatidamic acid, and elatidal were obtained for the first time by oxidation of the diterpene alkaloid elatidine with KMnO4 or CrO3 and characterized. The reactions of elatidal with hydroxylamine, aniline, allylamine, and methyl glycinate afford the corresponding imines. Elatidal N-phenyl- and N-allylimines were reduced with NaBH4 to give the corresponding diamines.

  DOI：

  10.1023/a:1011379714369
• 作为产物：
  描述：

  elatidine 在 chromium(VI) oxide 作用下， 以 溶剂黄146 为溶剂， 反应 3.0h， 以39%的产率得到20-ethyl-4-formyl-7,8-methylenebisoxy-1α,6β,14α,16β-tetramethoxyaconitane
  参考文献：
  名称：

  摘要：

  Elatidam, elatidamic acid, and elatidal were obtained for the first time by oxidation of the diterpene alkaloid elatidine with KMnO4 or CrO3 and characterized. The reactions of elatidal with hydroxylamine, aniline, allylamine, and methyl glycinate afford the corresponding imines. Elatidal N-phenyl- and N-allylimines were reduced with NaBH4 to give the corresponding diamines.

  DOI：

  10.1023/a:1011379714369