[5-Hydroxy-2-((E)-11-hydroxy-1,5,9,13-tetramethyl-10-oxo-1-vinyl-tetradeca-4,12-dienyloxy)-phenyl]-acetic acid methyl ester

• 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: [5-Hydroxy-2-((E)-11-hydroxy-1,5,9,13-tetramethyl-10-oxo-1-vinyl-tetradeca-4,12-dienyloxy)-phenyl]-acetic acid methyl ester
• 英文别名: methyl 2-[5-hydroxy-2-[(6E)-13-hydroxy-3,7,11,15-tetramethyl-12-oxohexadeca-1,6,14-trien-3-yl]oxyphenyl]acetate
• 化学式: C₂₉H₄₂O₆
• 分子量: 486.649
• InChiKey: KXTOXZSIGCDGHF-CIAFOILYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  35
• 可旋转键数：
  16
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [5-Hydroxy-2-((E)-11-hydroxy-1,5,9,13-tetramethyl-10-oxo-1-vinyl-tetradeca-4,12-dienyloxy)-phenyl]-acetic acid methyl ester 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以23.9 mg的产率得到[5-Hydroxy-2-((E)-10-hydroxy-1,5,9,13-tetramethyl-11-oxo-1-vinyl-tetradeca-4,12-dienyloxy)-phenyl]-acetic acid methyl ester
  参考文献：
  名称：

  Nahocols and isonahocols, endothelin antagonists from the brown alga, sargassum autumnale

  摘要：

  Novel endothelin antagonists, nahocols A, A(1), B, C, D-1 and D-2, and isonahocols D-1 and D-2, were isolated from the brown alga, Sargassum autumnale. Their structures were determined through detailed analysis of NMR spectra and chemical reactions. Nahocols have an aryl prenyl ether structure, which are speculated to be biogenetic precursors of the ubiquitous prenyl hydroquinones or prenyl benzoquinones in the plant and animal kingdoms. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(97)00476-7