(15Z)-18-hydroxy-5,9-dimethyl-9-methoxycarbo-nyl-19-(1-methylethyl)-15-hydroxyiminopentacyclo[12.4.0.2(2,13).0(4,13).0(5,10)]eicos-20-ene | 1232235-36-7

• 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: (15Z)-18-hydroxy-5,9-dimethyl-9-methoxycarbo-nyl-19-(1-methylethyl)-15-hydroxyiminopentacyclo[12.4.0.2(2,13).0(4,13).0(5,10)]eicos-20-ene
• CAS: 1232235-36-7
• 化学式: C₂₉H₄₃NO₅
• 分子量: 485.664
• InChiKey: PVEIEDPZKSPVHH-RHJBLTLDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.77
• 重原子数：
  35.0
• 可旋转键数：
  3.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  85.19
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  (15Z)-18-acetoxy-5,9-dimethyl-9-methoxycar-bonyl-19-(1-methylethyl)-15-hydroxyiminopentacyclo[12.4.0.2(2,13).0(4,13).0(5,10)]eicos-20-ene 在 sodium carbonate 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以93%的产率得到(15Z)-18-hydroxy-5,9-dimethyl-9-methoxycarbo-nyl-19-(1-methylethyl)-15-hydroxyiminopentacyclo[12.4.0.2(2,13).0(4,13).0(5,10)]eicos-20-ene
  参考文献：
  名称：

  The synthesis and anti-inflammatory activity of quinopimaric acid derivatives

  摘要：

  Under the action of PCl(5), the Beckman rearrangement of a 3: 1 mixture of Z- and E-isomeres of 18 beta-hydro-xydihydroquinopimaric acid resulted in 5'-caprolactam and isomeric caprolactams containing fragments of cyclic ether. Z- and E-ketoximes were separated as acetates. Using a carrageenan inflammation model, we demonstrated that the anti-inflammatory activity of quinopimaric acid derivatives was comparable with that of diclofenac.

  DOI：

  10.1134/s1068162010020160