Ilexoside B | 139076-66-7

• 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: Ilexoside B
• 英文别名: (2S,4aS,4bR,6aR,8S,10aS,10bR)-8-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4a,4b,7,7,10a-pentamethyl-2-[(3R)-3-methyl-4-oxopentyl]-4,5,6,6a,8,9,10,10b-octahydro-3H-chrysene-2-carboxylic acid
• CAS: 139076-66-7
• 化学式: C₄₁H₆₄O₁₃
• 分子量: 764.951
• InChiKey: VSBDIJXQSPDVKD-PFCKPJQUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  54
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  213
• 氢给体数：
  7
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  Ilexoside B 在 lithium aluminium tetrahydride 作用下， 生成 (2S,4aS,4bR,8S,10aS,10bR,12aR)-8-Hydroxymethyl-8-((R)-4-hydroxy-3-methyl-pentyl)-1,1,4a,10a,10b-pentamethyl-1,2,3,4,4a,4b,8,9,10,10a,10b,11,12,12a-tetradecahydro-chrysen-2-ol
  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