aspinonediol | 960069-60-7

• 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: aspinonediol
• 英文别名: (3E,5Z,7S)-7-hydroxy-5-(hydroxymethyl)octa-3,5-dien-2-one
• CAS: 960069-60-7
• 化学式: C₉H₁₄O₃
• 分子量: 170.208
• InChiKey: KZEYOZKGIDUZLU-QLNVLWNGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  aspinonediol 、 三甲基乙酰氯 在 吡啶 作用下， 反应 16.0h， 生成
  参考文献：
  名称：

  Pentaketides Relating to Aspinonene and Dihydroaspyrone from a Marine-Derived Fungus, Aspergillus ostianus

  摘要：

  Three new pentaketides, aspinotriols A (1) and B (3) and aspinonediol (5), were isolated together with two known compounds, aspinonene (7) and dihydroaspyrone (9), from the marine fungus Aspergillus ostianus strain O1F313, which was collected in Pohnpei and cultured with bromine-modified artificial seawater. The structures of the new compounds were determined by spectroscopic analyses including I D and 2D NMR. Although 1 and 3 are diastereomers, they show nearly superimposable H-1 and C-13 NMR spectra. The absolute configurations of compounds 1, 3, 5, and 9 were elucidated by the modified Mosher's method.

  DOI：

  10.1021/np070301n