α-Ilexanolic acid methyl ester | 137906-70-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: α-Ilexanolic acid methyl ester
• 英文别名: methyl (2S,4aS,4bR,6aR,8S,10aS,10bR)-8-hydroxy-4a,4b,7,7,10a-pentamethyl-2-[(3R)-3-methyl-4-oxopentyl]-4,5,6,6a,8,9,10,10b-octahydro-3H-chrysene-2-carboxylate
• CAS: 137906-70-8
• 化学式: C₃₁H₄₈O₄
• 分子量: 484.72
• InChiKey: HWSUJWUBYCWQNH-BLNNWGDPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  Ilexoside B 生成 α-Ilexanolic acid methyl ester
  参考文献：
  名称：

  Ilexosides A, B, C and D, anti-allergic 18,19-seco-ursane glycosides from fruit of Ilex crenata

  摘要：

  Four novel 18,19-seco-ursane glycosides named ilexosides A, B, C and D have been isolated from Ilex crenata Thunb.. Their structures were established as novel glycosides of 3-beta-hydroxy-19-oxo-18,19-seco-11,13(18)-ursadiene-28-oic-acid on the basis of chemical and spectroscopic analysis. They exhibited ant-allergic activities.

  DOI：

  10.1016/0040-4039(91)80826-r