(2E,4E,8E,10E)-(6S,12S)-6,9,12-Trimethyl-tetradeca-2,4,8,10-tetraenoic acid methyl ester

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (2E,4E,8E,10E)-(6S,12S)-6,9,12-Trimethyl-tetradeca-2,4,8,10-tetraenoic acid methyl ester
• 英文别名: methyl (2E,4E,6S,8E,10E,12S)-6,9,12-trimethyltetradeca-2,4,8,10-tetraenoate
• 化学式: C₁₈H₂₈O₂
• 分子量: 276.419
• InChiKey: DLNJQMUZKSNTET-JMXAGWQHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  重氮甲烷 、 (2E,4E,8E,10E)-(6S,12S)-6,9,12-Trimethyl-tetradeca-2,4,8,10-tetraenoic acid 以 乙醚 为溶剂， 生成 (2E,4E,8E,10E)-(6S,12S)-6,9,12-Trimethyl-tetradeca-2,4,8,10-tetraenoic acid methyl ester
  参考文献：
  名称：

  Multibranched Polyunsaturated and Very-Long-Chain Fatty Acids of Freshwater Israeli Sponges

  摘要：

  Very-long-chain and multibranched polyunsaturated fatty acids of three freshwater sponges, Ephydatia syriaca, Nudospongilla sp., and Cortispongilla barroisi, were studied by silver TLC, GC-MS, UV, IR, HRMS, and NMR methods. One hundred and eighty-five conventional fatty acids were identified by GC-MS, out of which five were new multibranched polyunsaturated fatty acids. The freshwater sponges belonging to the family Spongillidae (class Demospongia) were shown to contain novel di-, tri-, and tetramethyl substituted dienoic, tetraenoic, and hexaenoic fatty acids. The compounds gave positive results in a brine shrimp toxicity assay.

  DOI：

  10.1021/np010504q

文献信息

• Multibranched Polyunsaturated and Very-Long-Chain Fatty Acids of Freshwater Israeli Sponges
  作者：Tomáš Řezanka、Valery M. Dembitsky

  DOI：10.1021/np010504q

  日期：2002.5.1

  Very-long-chain and multibranched polyunsaturated fatty acids of three freshwater sponges, Ephydatia syriaca, Nudospongilla sp., and Cortispongilla barroisi, were studied by silver TLC, GC-MS, UV, IR, HRMS, and NMR methods. One hundred and eighty-five conventional fatty acids were identified by GC-MS, out of which five were new multibranched polyunsaturated fatty acids. The freshwater sponges belonging to the family Spongillidae (class Demospongia) were shown to contain novel di-, tri-, and tetramethyl substituted dienoic, tetraenoic, and hexaenoic fatty acids. The compounds gave positive results in a brine shrimp toxicity assay.

表征谱图