hydroxytyrosol elaidate | 1345866-03-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: hydroxytyrosol elaidate
• 英文别名: Trans-Hydroxytyrosol Elaidate；2-(3,4-dihydroxyphenyl)ethyl (E)-octadec-9-enoate
• CAS: 1345866-03-6
• 化学式: C₂₆H₄₂O₄
• 分子量: 418.617
• InChiKey: HYIZEYFHDOFSNE-MDZDMXLPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  30
• 可旋转键数：
  19
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,4-二羟基苯乙酸 在 硫酸 、 erbium(III) triflate 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 23.0h， 生成 hydroxytyrosol elaidate
  参考文献：
  名称：

  Lipophilic Hydroxytyrosol Esters: Fatty Acid Conjugates for Potential Topical Administration

  摘要：

  Hydroxytyrosol is a potent antioxidant natural molecule isolated from olive leaves and fruits. The presence of three hydroxy groups in its structure poses a limit for the topical application of this lead compound. A set of hydroxytyrosol conjugates with fatty acids at different molecular weights were synthesized under mild conditions. The topical delivery features of this new set of antioxidant molecules were evaluated as a function of their permeation profiles through the human stratum corneum and viable epidermis membranes. A dependence on their partition coefficients, their molecular weights, and their isometric configurations was then postulated. Encouraging results prompt further investigations on the polyfunctional role that hydroxytyrosol conjugates could have as agents in both anti-inflammatory and antioxidant therapies.

  DOI：

  10.1021/np200405s