(2S,4R)-1-((1S,3R,5R)-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-3-yl)undecane-2,4-diyl diacetate | 1016901-89-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: (2S,4R)-1-((1S,3R,5R)-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-3-yl)undecane-2,4-diyl diacetate
• CAS: 1016901-89-5
• 化学式: C₂₂H₃₆O₇
• 分子量: 412.524
• InChiKey: FVDITMBYDPRLGG-ONUIULTDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.85
• 重原子数：
  29.0
• 可旋转键数：
  12.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  88.13
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  (+)-polyrhacitide A 、 乙酸酐 在 吡啶 作用下， 反应 12.0h， 以2 mg的产率得到(2S,4R)-1-((1S,3R,5R)-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-3-yl)undecane-2,4-diyl diacetate
  参考文献：
  名称：

  Bicyclic Polyketide Lactones from Chinese Medicinal Ants, Polyrhacis lamellidens

  摘要：

  Two new bicyclic polyketide lactones, polyrhacitides A (1) and B (2), were isolated from Chinese medicinal ants, Polyrhacis lamellidens, which have been used as an effective therapeutic agent to treat rheumatoid arthritis and hepatitis in China. Their absolute structures were elucidated on the basis of spectroscopic analyses and chemical evidence. The occurrence of polyketides with similar structures in plants of the Lamiaceae, Lauraceae, and Staphyleaceae indicates their significance in the study of chemical ecology.

  DOI：

  10.1021/np070558l