(Z)-heptadeca-9,16-dien-7-one | 1357255-21-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (Z)-heptadeca-9,16-dien-7-one
• 英文别名: (9Z)-heptadeca-9,16-dien-7-one
• CAS: 1357255-21-0
• 化学式: C₁₇H₃₀O
• 分子量: 250.425
• InChiKey: KMCMOPKLVWWDPS-OWBHPGMISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  18
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (Z)-heptadeca-9,16-dien-7-ol 在 pyridinium chlorochromate 作用下， 以 氯仿 为溶剂， 反应 6.0h， 以80.4%的产率得到(Z)-heptadeca-9,16-dien-7-one
  参考文献：
  名称：

  Chemical Compositions of the Essential Oils of the Aerial Parts of Chamaemelum mixtum (L.) Alloni

  摘要：

  The chemical compositions of the aerial parts essential oils of Chamaemelum mixtum (L.) Alloni from Corsica and Sardinia were investigated employing gas chromatography and gas chromatography-mass spectrometry (GC-MS). The structure of (Z)-heptadeca-9,16-dien-7-one, a natural compound not previously described, was elucidated by GC-MS (electron impact and chemical ionization) and one-dimensional and two-dimensional nuclear magnetic resonance spectroscopy. The variation in C. mixtum essential oil was studied, and statistical analysis showed the clustering of oil samples into three groups according to the amount of oxygenated compounds; these groups correlated to the harvest area. The strong biological activity of the oxygenated fraction (minimum inhibitory concentration of <0.1 mg/mL) of the Corsican oil against Candida albicans, Citrobacter frendii, Enterococcus faecalis, Escherichia coli, Klebsiella pneumoniae, Listeria monocytogenes, and Staphyllococcus aureus can be attributed to the presence of irregular monoterpene alcohols and (Z)-heptadeca-9,16-dien-7-one.

  DOI：

  10.1021/jf203872z