methyl 6,9,12-hexadecatrienoate | 2676-40-6

• 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: methyl 6,9,12-hexadecatrienoate
• 英文别名: Methyl hexadeca-6,9,12-trienoate；methyl hexadeca-6,9,12-trienoate
• CAS: 2676-40-6
• 化学式: C₁₇H₂₈O₂
• 分子量: 264.408
• InChiKey: WLXWGAMHBLPVNB-UHFFFAOYSA-N

物化性质

• 沸点：
  344.8±31.0 °C(Predicted)
• 密度：
  0.900±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  19
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.59
• 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：

  甲醇 、 bathymodiolamide A 在 sodium methylate 作用下， 生成 月桂酸甲酯 、 棕榈酸甲酯 、 methyl 6,9,12-hexadecatrienoate
  参考文献：
  名称：

  Bathymodiolamides A and B, Ceramide Derivatives from a Deep-Sea Hydrothermal Vent Invertebrate Mussel, Bathymodiolus thermophilus

  摘要：

  Two ceramide derivatives, bathymodiolamides A (1) and B (2), were isolated from the deep-sea hydrothermal vent. invertebrate mussel Bathymodiolus thermophilus. The molecular structures of these compounds were determined using a:combination Of NMR spectroscopy, mass spectrometry, and chemical degradation. Biological activities were assessed in a ApopScreen cell based screen for apoptosis induction and potential anticancer. activity. To our knowledge, this is the first report of secondary metabolites from the Marine hydrothermal vent-mussel B. thermophilus.

  DOI：

  10.1021/np100601w

文献信息

• Bathymodiolamides A and B, Ceramide Derivatives from a Deep-Sea Hydrothermal Vent Invertebrate Mussel, <i>Bathymodiolus thermophilus</i>
  作者：Eric H. Andrianasolo、Liti Haramaty、Kerry L. McPhail、Eileen White、Costantino Vetriani、Paul Falkowski、Richard Lutz

  DOI：10.1021/np100601w

  日期：2011.4.25

  Two ceramide derivatives, bathymodiolamides A (1) and B (2), were isolated from the deep-sea hydrothermal vent. invertebrate mussel Bathymodiolus thermophilus. The molecular structures of these compounds were determined using a:combination Of NMR spectroscopy, mass spectrometry, and chemical degradation. Biological activities were assessed in a ApopScreen cell based screen for apoptosis induction and potential anticancer. activity. To our knowledge, this is the first report of secondary metabolites from the Marine hydrothermal vent-mussel B. thermophilus.