(3aR,3bS,5aR,6R,9aR,9bR,11R,11aR)-12-isopropyl-6,9a-dimethyl-2-octadecyl-1,3-dioxo-1,2,3,3a,4,5,5a,6,7,8,9,9a,9b,10,11,11a-hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid | 1233690-97-5

• 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
• 英文名称: (3aR,3bS,5aR,6R,9aR,9bR,11R,11aR)-12-isopropyl-6,9a-dimethyl-2-octadecyl-1,3-dioxo-1,2,3,3a,4,5,5a,6,7,8,9,9a,9b,10,11,11a-hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid
• CAS: 1233690-97-5
• 化学式: C₄₂H₆₉NO₄
• 分子量: 652.014
• InChiKey: BHGMAGBTBAQHPI-HCXGONPOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.76
• 重原子数：
  47.0
• 可旋转键数：
  19.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  74.68
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (3aR,3bS,5aR,6R,9aR,9bR,11R,11aR)-12-isopropyl-6,9a-dimethyl-2-octadecyl-1,3-dioxo-1,2,3,3a,4,5,5a,6,7,8,9,9a,9b,10,11,11a-hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid 、 3-溴丙烯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以96%的产率得到
  参考文献：
  名称：

  Synthesis and properties of maleopimaric N-(n-alkyl)imides

  摘要：

  Method of synthesis of maleopimaric N-(n-alkyl)imides by the reaction of maleopimaric acid with primary aliphatic amines in melt was developed. On the basis of the obtained compounds allyl esters were synthesized. Thermal stability of the synthesized compounds was evaluated by the method of derivatography.

  DOI：

  10.1134/s107036321002012x
• 作为产物：
  描述：

  maleopimaric acid 、 十八胺 以99%的产率得到(3aR,3bS,5aR,6R,9aR,9bR,11R,11aR)-12-isopropyl-6,9a-dimethyl-2-octadecyl-1,3-dioxo-1,2,3,3a,4,5,5a,6,7,8,9,9a,9b,10,11,11a-hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid
  参考文献：
  名称：

  Synthesis and properties of maleopimaric N-(n-alkyl)imides

  摘要：

  Method of synthesis of maleopimaric N-(n-alkyl)imides by the reaction of maleopimaric acid with primary aliphatic amines in melt was developed. On the basis of the obtained compounds allyl esters were synthesized. Thermal stability of the synthesized compounds was evaluated by the method of derivatography.

  DOI：

  10.1134/s107036321002012x