13-acetoxy-12-acetylalcyopterosin D | 1159205-22-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 13-acetoxy-12-acetylalcyopterosin D
• 英文别名: [7-(Acetyloxymethyl)-6-(2-chloroethyl)-2,2-dimethyl-1,3-dihydroinden-5-yl]methyl acetate
• CAS: 1159205-22-7
• 化学式: C₁₉H₂₅ClO₄
• 分子量: 352.858
• InChiKey: UARLGPBHIFHQRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  13-hydroxyalcyopterosin D 、 乙酸酐 在 吡啶 作用下， 反应 8.0h， 以0.5 g的产率得到13-acetoxy-12-acetylalcyopterosin D
  参考文献：
  名称：

  Illudalane Sesquiterpenoids of the Alcyopterosin Series from the Antarctic Marine Soft Coral Alcyonium grandis

  摘要：

  Chemical investigation of the lipophilic extract of the Antarctic soft coral Alcyonium grandis led us to the finding of nine unreported sesquiterpenoids, 2-10. These molecules are members of the illudalane class and in particular belong to the group of alcyopterosins, illudalanes isolated from marine organisms. The structures of 2-10 were determined by interpretation of spectroscopic data. Repellency experiments conducted using the omnivorous Antarctic sea star Odontaster validus revealed a strong activity in the lipophilic extract of A. grandis against predation.

  DOI：

  10.1021/np900162t