| 145473-36-5

• 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
• CAS: 145473-36-5
• 化学式: C₂₈H₃₂O₁₁
• 分子量: 544.555
• InChiKey: UMHJCILTNURHKG-DZQZXAQMSA-N

物化性质

• 沸点：
  796.1±60.0 °C(predicted)
• 密度：
  1.49±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.83
• 重原子数：
  39.0
• 可旋转键数：
  5.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  147.05
• 氢给体数：
  2.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 23.0 ℃ 、101.32 kPa 条件下， 反应 5.0h， 生成 ginkgolide B
  参考文献：
  名称：

  Intramolecular and intermolecular hydroxyl reactivity differences in ginkgolides A, B and C and their chemical applications

  摘要：

  An investigation of the chemistry of ginkgolides A, B and C (1) has revealed an unusual interaction between the hydroxyl groups at C(1) and C(10) which activates their deprotonation to give 2 and provides a method for the interconversion of 1C and 1B. The ginkgolide 7-enol system 7 is more stable than the corresponding 7-keto form 6, which is easily made by selective Jones oxidation of ginkgolide C.

  DOI：

  10.1016/s0040-4039(00)60905-x
• 作为产物：
  描述：

  在 4-二甲氨基吡啶 、 偶氮二异丁腈 、 三正丁基氢锡 作用下， 以 乙腈 、 苯 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Intramolecular and intermolecular hydroxyl reactivity differences in ginkgolides A, B and C and their chemical applications

  摘要：

  An investigation of the chemistry of ginkgolides A, B and C (1) has revealed an unusual interaction between the hydroxyl groups at C(1) and C(10) which activates their deprotonation to give 2 and provides a method for the interconversion of 1C and 1B. The ginkgolide 7-enol system 7 is more stable than the corresponding 7-keto form 6, which is easily made by selective Jones oxidation of ginkgolide C.

  DOI：

  10.1016/s0040-4039(00)60905-x