octahydro-3,4a-dihydroxy-4-methyl-7-ethoxy-(2aR,3S,4S,4aS,7S,7aS,7bS)-1H-2,6-dioxacyclopent[cd]-inden-1-one | 1310823-68-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃吡喃类
• 英文名称: octahydro-3,4a-dihydroxy-4-methyl-7-ethoxy-(2aR,3S,4S,4aS,7S,7aS,7bS)-1H-2,6-dioxacyclopent[cd]-inden-1-one
• 英文别名: geleganoid B；(1S,4R,5S,6S,7S,10S,11S)-10-ethoxy-5,7-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one
• CAS: 1310823-68-7
• 化学式: C₁₂H₁₈O₆
• 分子量: 258.271
• InChiKey: SFSLEFGTKXYWBS-WOKCGAQRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  85.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  octahydro-3,4a-dihydroxy-4-methyl-7-ethoxy-(2aR,3S,4S,4aS,7S,7aS,7bS)-1H-2,6-dioxacyclopent[cd]-inden-1-one 、 甲氧基-三氟甲基苯 以 氘代吡啶 为溶剂， 生成
  参考文献：
  名称：

  Iridoids from leaves of Gelsemium elegans

  摘要：

  Six iridoids, geleganoids, designated A-F, and five iridoid glycosides, geleganosides A and B together with three previously reported compounds, were isolated from leaves of Gelsemium elegans. Their structures were elucidated by spectroscopic and chemical analyses. The relative configuration of geleganoid A was confirmed by X-ray crystallographic diffraction analysis, and the absolute configuration of geleganoid B was determined by a modified Mosher's method. Selected compounds were evaluated for PC12 cell neurite outgrowth activity, but they were inactive. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2011.03.021