(1R,4aR,4bS,10aR)-甲基 2,4b,8,8,10a-五甲基-1,4,4a,4b,5,6,7,8,8a,9,10,10a-十二氢菲-1-羧酸 | 59909-34-1

• 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
• 中文名称: (1R,4aR,4bS,10aR)-甲基 2,4b,8,8,10a-五甲基-1,4,4a,4b,5,6,7,8,8a,9,10,10a-十二氢菲-1-羧酸
• 中文别名: (1R,4aR,4bS,10aR)-甲基2,4b,8,8,10a-五甲基-1,4,4a,4b,5,6,7,8,8a,9,10,10a-十二氢菲-1-羧酸
• 英文名称: (1R,4AR,4BS,10AR)-Methyl 2,4B,8,8,10A-pentamethyl-1,4,4A,4B,5,6,7,8,8A,9,10,10A-dodecahydrophenanthrene-1-carboxylate
• 英文别名: methyl (1R,4aR,4bS,10aR)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1-carboxylate
• CAS: 59909-34-1
• 化学式: C₂₁H₃₄O₂
• 分子量: 318.5
• InChiKey: WEZOYKKWEAQCIT-BJFWILHESA-N

物化性质

• 沸点：
  371.1±21.0 °C(Predicted)
• 密度：
  0.973±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (Z,E,E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenoic acid 在 氟磺酸 作用下， 以 乙醚 为溶剂， 反应 3.67h， 生成 (1R,4aR,4bS,10aR)-甲基 2,4b,8,8,10a-五甲基-1,4,4a,4b,5,6,7,8,8a,9,10,10a-十二氢菲-1-羧酸
  参考文献：
  名称：

  Superacidic cyclization of higher terpenoid acids and their esters

  摘要：

  The superacidic cyclization of aliphatic and partially cyclized C-15-C-25 terpenoid acids and their esters proceeds structure-selectively and stereospecifically, affording a-isomers of completely cyclized epimeric beta,gamma-unsaturated acids of esters; the configuration of their carboxylic or ester groups is predetermined by the configuration of the double bond conjugated with the carboxyl or ester groups in the starting compounds.

  DOI：

  10.1007/bf00713614

文献信息

• Superacidic cyclization of higher terpenoid acids and their esters
  作者：P. F. Vlad、N. D. Ungur、Nguen Van Tuen

  DOI：10.1007/bf00713614

  日期：1995.12

  The superacidic cyclization of aliphatic and partially cyclized C-15-C-25 terpenoid acids and their esters proceeds structure-selectively and stereospecifically, affording a-isomers of completely cyclized epimeric beta,gamma-unsaturated acids of esters; the configuration of their carboxylic or ester groups is predetermined by the configuration of the double bond conjugated with the carboxyl or ester groups in the starting compounds.