| 1588767-15-0

• 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: 1588767-15-0
• 化学式: C₂₀H₂₂O₃
• 分子量: 310.393
• InChiKey: NWJGRMPSOCITNO-SQOWSMRPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.33
• 重原子数：
  23.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.67
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  在 四甲基乙二胺 作用下， 以 甲醇 为溶剂， 以23.7%的产率得到(-)-pyracurcasone
  参考文献：
  名称：

  One-Step Semisynthesis Method of Spirocurcasone and Pyracurcasone from Curcusones A and B

  摘要：

  High contents of curcusones A and B and trace amounts of spirocurcasone exist in the roots of Jatropha curcas. Here, a one-step semisynthesis method of spirocurcasone and pyracurcasone was built, not only resulted an increased yield of spirocurcasone but also produced pyracurcasone, which exhibited greater cytotoxicity compared to curcusones A and B. The plausible mechanism of the formation of pyracurcasone was proposed, and the proposed biogenetic origin for spirocurcasone by Taglialatela-Scafati was confirmed.

  DOI：

  10.1021/ol500692j
• 作为产物：
  描述：

  (-)-curcusone B 在 四甲基乙二胺 作用下， 以 甲醇 为溶剂， 反应 7.0h， 生成
  参考文献：
  名称：

  One-Step Semisynthesis Method of Spirocurcasone and Pyracurcasone from Curcusones A and B

  摘要：

  High contents of curcusones A and B and trace amounts of spirocurcasone exist in the roots of Jatropha curcas. Here, a one-step semisynthesis method of spirocurcasone and pyracurcasone was built, not only resulted an increased yield of spirocurcasone but also produced pyracurcasone, which exhibited greater cytotoxicity compared to curcusones A and B. The plausible mechanism of the formation of pyracurcasone was proposed, and the proposed biogenetic origin for spirocurcasone by Taglialatela-Scafati was confirmed.

  DOI：

  10.1021/ol500692j