urs-12-烯-28-酸,3-[(3-O-b-D-吡喃葡萄糖基-a-L-吡喃阿拉伯糖基)氧代]-19-羟基-,6-O-b-D-吡喃木糖基-b-D-吡喃葡萄糖基酯,(3b)-(9CI) | 145022-83-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: urs-12-烯-28-酸,3-[(3-O-b-D-吡喃葡萄糖基-a-L-吡喃阿拉伯糖基)氧代]-19-羟基-,6-O-b-D-吡喃木糖基-b-D-吡喃葡萄糖基酯,(3b)-(9CI)
• 英文名称: Ilexoside VII
• 英文别名: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
• CAS: 145022-83-9
• 化学式: C₅₂H₈₄O₂₂
• 分子量: 1061.23
• InChiKey: ZXECJGVKAPFLFT-AKVRCQHDSA-N

物化性质

• 密度：
  1.47±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  74
• 可旋转键数：
  11
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  354
• 氢给体数：
  13
• 氢受体数：
  22

反应信息

• 作为反应物：
  描述：

  urs-12-烯-28-酸,3-[(3-O-b-D-吡喃葡萄糖基-a-L-吡喃阿拉伯糖基)氧代]-19-羟基-,6-O-b-D-吡喃木糖基-b-D-吡喃葡萄糖基酯,(3b)-(9CI) 以 乙醇 、 水 为溶剂， 反应 336.0h， 以12 mg的产率得到坡模醇酸
  参考文献：
  名称：

  Triterpene saponins from fruit of Ilex crenata

  摘要：

  From the fresh fruits of Ilex crenata have been isolated six new saponins named ilexosides III-VIII, respectively, along with the known saponin, ilexoside II. Their structures were established on the basis of spectral and chemical evidence.

  DOI：

  10.1016/0031-9422(92)83636-d

文献信息

• Triterpene saponins from fruit of Ilex crenata
  作者：Takashi Kakuno、Kazuko Yoshikawa、Shigenobu Arihara

  DOI：10.1016/0031-9422(92)83636-d

  日期：1992.8

  From the fresh fruits of Ilex crenata have been isolated six new saponins named ilexosides III-VIII, respectively, along with the known saponin, ilexoside II. Their structures were established on the basis of spectral and chemical evidence.