3β-acetoxy-24-methyl-25-ethyl-20,24-epoxydammarane | 155704-20-4

• 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: 3β-acetoxy-24-methyl-25-ethyl-20,24-epoxydammarane
• 英文别名: [(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5R)-2,5-dimethyl-5-(2-methylbutan-2-yl)oxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
• CAS: 155704-20-4
• 化学式: C₃₅H₆₀O₃
• 分子量: 528.86
• InChiKey: WZNHAVSCNBJFAG-KPAMULQDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3β-acetoxy-24-methyl-25-ethyl-20,24-epoxydammarane 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 24.0h， 生成 (3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5R)-5-(1,1-Dimethyl-propyl)-2,5-dimethyl-tetrahydro-furan-2-yl]-4,4,8,10,14-pentamethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol
  参考文献：
  名称：

  24-methyl-25-ethyldammarane derivatives from Pilocarpus spicatus

  摘要：

  From the ethanol extracts from leaves of Pilocarpus spicatus 3 beta-acetoxy-24-methyl-25-ethyl-20,24-epoxydammarane and 3-oxo-24-methyl-25-ethyl-20,24-epoxydammarane were isolated. Structure determination of these natural products was accomplished by spectrometric analysis, chemical transformation and X-ray crystallographic studies.

  DOI：

  10.1016/s0031-9422(00)90597-1
• 作为产物：
  描述：

  乙酸酐 、 (3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5R)-5-(1,1-Dimethyl-propyl)-2,5-dimethyl-tetrahydro-furan-2-yl]-4,4,8,10,14-pentamethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol 在 吡啶 作用下， 生成 3β-acetoxy-24-methyl-25-ethyl-20,24-epoxydammarane
  参考文献：
  名称：

  24-methyl-25-ethyldammarane derivatives from Pilocarpus spicatus

  摘要：

  From the ethanol extracts from leaves of Pilocarpus spicatus 3 beta-acetoxy-24-methyl-25-ethyl-20,24-epoxydammarane and 3-oxo-24-methyl-25-ethyl-20,24-epoxydammarane were isolated. Structure determination of these natural products was accomplished by spectrometric analysis, chemical transformation and X-ray crystallographic studies.

  DOI：

  10.1016/s0031-9422(00)90597-1