(E)-阿魏酸二十六烷基酯 | 18594-58-6

• 物质功能分类: 天然产物 - 苯丙素
• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 中文名称: (E)-阿魏酸二十六烷基酯
• 英文名称: (E)-ferulic acid hexacosyl ester
• 英文别名: hexacosyl ferulate；hexacosyl trans-ferulate；Hexacosyl (E)-ferulate；hexacosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
• CAS: 18594-58-6；63034-29-7
• 化学式: C₃₆H₆₂O₄
• 分子量: 558.886
• InChiKey: LMNZEDXMWAJKBB-SJCQXOIGSA-N

物化性质

• 熔点：
  69-70 °C(Solv: ligroine (8032-32-4); ethyl acetate (141-78-6))
• 沸点：
  638.7±40.0 °C(Predicted)
• 密度：
  0.954±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  15
• 重原子数：
  40
• 可旋转键数：
  29
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-甲氧基-4-[(四氢-2H-吡喃-2-基)氧基]苯甲醛 在 哌啶 、 苯胺 盐酸 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 吡啶 为溶剂， 反应 16.0h， 生成 (E)-阿魏酸二十六烷基酯
  参考文献：
  名称：

  Alkyl ferulates in wound healing potato tubers

  摘要：

  Seven ferulic acid esters of 1-alkanols ranging in carbon length from C-16 to C28 were synthesized and an HPLC protocol for their separation developed. Extracts prepared from wound healing potato (Solanum tuberosum) tubers and analysed by HPLC indicated that alkyl ferulate esters begin to accumulate 3-7 days after wound treatment. Of the nine esters identified by EIMS, (including two esters of odd chain length alkanols) hexadecyl and octadecyl ferulates were predominant. Alkyl ferulate esters were restricted to the wound periderm.

  DOI：

  10.1016/0031-9422(92)83695-u

文献信息

• Alkyl ferulates in wound healing potato tubers
  作者：Mark A. Bernards、Norman G. Lewis

  DOI：10.1016/0031-9422(92)83695-u

  日期：1992.10

  Seven ferulic acid esters of 1-alkanols ranging in carbon length from C-16 to C28 were synthesized and an HPLC protocol for their separation developed. Extracts prepared from wound healing potato (Solanum tuberosum) tubers and analysed by HPLC indicated that alkyl ferulate esters begin to accumulate 3-7 days after wound treatment. Of the nine esters identified by EIMS, (including two esters of odd chain length alkanols) hexadecyl and octadecyl ferulates were predominant. Alkyl ferulate esters were restricted to the wound periderm.