| 183890-13-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• CAS: 183890-13-3
• 化学式: C₅₈H₈₆O₉
• 分子量: 927.315
• InChiKey: KIFPNSUHTYIIFT-KWWSKWDWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.56
• 重原子数：
  67.0
• 可旋转键数：
  4.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  98.75
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  在 氢氧化钾 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 2.0h， 以87%的产率得到
  参考文献：
  名称：

  Photochemistry of Hecogenine Acetate Revisited

  摘要：

  We were successful in optimizing the synthesis of the homoallylic alcohol 6 from hecogenine acetate 2 as an important precursor for our approach to cephalostatin analogues by doubling the yields. On this way we discovered that formation of homoallylic alcohol 6 proceeds via a diastereoselective intramolecular Lewis acid catalysed ene reaction directly from lumihecogenine acetate 3. Finally we were able to elucidate the structure of the already described but not clearly identified oxa-dimer 7.

  DOI：

  10.1002/prac.199633801137
• 作为产物：
  描述：

  龙舌兰皂苷乙酯 在 acid exchange resin Nafion NR 50 、 三氟化硼乙醚 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  Photochemistry of Hecogenine Acetate Revisited

  摘要：

  We were successful in optimizing the synthesis of the homoallylic alcohol 6 from hecogenine acetate 2 as an important precursor for our approach to cephalostatin analogues by doubling the yields. On this way we discovered that formation of homoallylic alcohol 6 proceeds via a diastereoselective intramolecular Lewis acid catalysed ene reaction directly from lumihecogenine acetate 3. Finally we were able to elucidate the structure of the already described but not clearly identified oxa-dimer 7.

  DOI：

  10.1002/prac.199633801137