rhoiptelenol

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: rhoiptelenol
• 英文别名: glutinol；(3S,6aS,6aS,6bR,8aR,11R,12S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,12,14a-octamethyl-2,3,6,6a,7,8,9,10,11,12,12a,13,14,14b-tetradecahydro-1H-picen-3-ol
• 化学式: C₃₀H₅₀O
• 分子量: 426.726
• InChiKey: OGOXWUWQFYWSEG-DOHFDSHUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  31
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 rhoiptelenol 以 吡啶 为溶剂， 生成 Acetic acid (3S,6aS,6bR,8aR,11R,12S,12aR,12bS,14aR,14bS)-4,4,6b,8a,11,12,12b,14a-octamethyl-1,2,3,4,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-picen-3-yl ester
  参考文献：
  名称：

  Rhoiptelenyl Acetate, a New Pentacyclic Triterpenoid from Ficus thunbergii

  摘要：

  Rhoiptelenol, (2), isolated from Ficus thunbergii Maxim. (Moraceae), has been reported as a triterpenoid component. The title compound, (1), whose molecular formula was shown by its high-resolution mass spectrum to be C32H52O2, was obtained from (2) by acetylation with Ac2O and pyridine. The structure of (1) was proved by NMR spectroscopy to be one of a rearranged ursane-type triterpenoid with five six-membered rings. We have described the conformation and geometry of (1) by an X-ray crystallographic analysis and molecular-mechanics calculations.

  DOI：

  10.1107/s0108270196001588

文献信息

• Rhoiptelenyl Acetate, a New Pentacyclic Triterpenoid from Ficus thunbergii
  作者：T. Kiyotani、J. Kitajima、Y. Tanaka、H. Ageta

  DOI：10.1107/s0108270196001588

  日期：1996.8.15

  Rhoiptelenol, (2), isolated from Ficus thunbergii Maxim. (Moraceae), has been reported as a triterpenoid component. The title compound, (1), whose molecular formula was shown by its high-resolution mass spectrum to be C32H52O2, was obtained from (2) by acetylation with Ac2O and pyridine. The structure of (1) was proved by NMR spectroscopy to be one of a rearranged ursane-type triterpenoid with five six-membered rings. We have described the conformation and geometry of (1) by an X-ray crystallographic analysis and molecular-mechanics calculations.