(2Z,5Z,8Z,11Z)-heptadeca-2,5,8,11-tetraen-1-ol | 110283-98-2

• 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: (2Z,5Z,8Z,11Z)-heptadeca-2,5,8,11-tetraen-1-ol
• CAS: 110283-98-2
• 化学式: C₁₇H₂₈O
• 分子量: 248.409
• InChiKey: OVIPVMYVRCRMEL-DOFZRALJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.95
• 重原子数：
  18.0
• 可旋转键数：
  11.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (2Z,5Z,8Z,11Z)-heptadeca-2,5,8,11-tetraen-1-ol 在 吡啶 、 溴 、 三苯基膦 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以86%的产率得到(2Z,5Z,8Z,11Z)-1-bromoheptadeca-2,5,8,11-tetraene
  参考文献：
  名称：

  Identification of very-long-chain polyunsaturated fatty acids from Amphidinium carterae by atmospheric pressure chemical ionization liquid chromatography–mass spectroscopy

  摘要：

  A method is described for the enrichment of very-long-chain polyunsaturated fatty acids (VLCPUFAs) from total fatty acids of Amphidinium carterae and their identification as picolinyl esters by means of microbore liquid chromatography-mass spectrometry with atmospheric pressure chemical ionization (LC-MS/APCI). The combination of argentation TLC and LC-MS/APCI was used to identify unusual VLCPUFAs up to hexatriacontaoctaenoic acid. Two acids, 36:7n-6 and 36:8n-3, were also synthesized to unambiguously confirm their structure. The possibilities of VLCPUFAs biosynthesis are proposed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2008.06.011
• 作为产物：
  描述：

  methyl (2Z,5Z,8Z,11Z)-heptadeca-2,5,8,11-tetraenoate 在 二异丁基氢化铝 作用下， 以 正己烷 、 环己烷 为溶剂， 反应 2.0h， 以86%的产率得到(2Z,5Z,8Z,11Z)-heptadeca-2,5,8,11-tetraen-1-ol
  参考文献：
  名称：

  Identification of very-long-chain polyunsaturated fatty acids from Amphidinium carterae by atmospheric pressure chemical ionization liquid chromatography–mass spectroscopy

  摘要：

  A method is described for the enrichment of very-long-chain polyunsaturated fatty acids (VLCPUFAs) from total fatty acids of Amphidinium carterae and their identification as picolinyl esters by means of microbore liquid chromatography-mass spectrometry with atmospheric pressure chemical ionization (LC-MS/APCI). The combination of argentation TLC and LC-MS/APCI was used to identify unusual VLCPUFAs up to hexatriacontaoctaenoic acid. Two acids, 36:7n-6 and 36:8n-3, were also synthesized to unambiguously confirm their structure. The possibilities of VLCPUFAs biosynthesis are proposed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2008.06.011