1-O-<(3β,20β)-20-oxo-20-deoxy-20-ortho-tolylthiosemicarbazido-11-oxo-30-norolean-12-en-3-yl>-2-O-(β-D-2,3,4-tri-O-acetyl-6-oxo-6-deoxy-6-ortho-tolylthiosemicarbazidoglucopyranozyl)-α-D-3,4-di-O-acetyl-6-oxo-6-deoxy-6-ortho-tolylthiosemicarbazidoglu | 137957-54-1

• 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
• 英文名称: 1-O-<(3β,20β)-20-oxo-20-deoxy-20-ortho-tolylthiosemicarbazido-11-oxo-30-norolean-12-en-3-yl>-2-O-(β-D-2,3,4-tri-O-acetyl-6-oxo-6-deoxy-6-ortho-tolylthiosemicarbazidoglucopyranozyl)-α-D-3,4-di-O-acetyl-6-oxo-6-deoxy-6-ortho-tolylthiosemicarbazidoglu
• 英文别名: 1-O-((3β,20β)-20-oxo-20-deoxy-20-ortho-tolylthiosemicarbazido-11-oxo-30-norolean-12-en-3-yl)-2-O-(β-D-2,3,4-tri-O-acetyl-6-oxo-6-deoxy-6-ortho-tolylthiosemicarbazidoglucopyranozyl)-α-D-3,4-di-O-acetyl-6-oxo-6-deoxy-6-ortho-tolylthiosemicarbazidoglu
• CAS: 137957-54-1
• 化学式: C₇₆H₉₉N₉O₁₈S₃
• 分子量: 1522.87
• InChiKey: DABMPDHERZONRR-WLAPKPAASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.82
• 重原子数：
  106.0
• 可旋转键数：
  18.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  344.97
• 氢给体数：
  9.0
• 氢受体数：
  24.0

反应信息

• 作为产物：
  描述：

  1-O-<(3β,20β)-20-oxo-20-deoxy-20-isothiocyanato-11-oxo-30-norolean-12-ene-3-yl>-2-O-(β-D-2,3,4-tri-O-acetyl-6-oxo-6-deoxy-6-isothiocyanatoglucopyranosyl)-α-D-3,4-di-O-acetyl-6-oxo-6-deoxy-6-isothiocyanatoglucopyranozide 、 (2-甲基苯基)肼 以 二氯甲烷 为溶剂， 反应 1.0h， 以65.8%的产率得到1-O-<(3β,20β)-20-oxo-20-deoxy-20-ortho-tolylthiosemicarbazido-11-oxo-30-norolean-12-en-3-yl>-2-O-(β-D-2,3,4-tri-O-acetyl-6-oxo-6-deoxy-6-ortho-tolylthiosemicarbazidoglucopyranozyl)-α-D-3,4-di-O-acetyl-6-oxo-6-deoxy-6-ortho-tolylthiosemicarbazidoglu
  参考文献：
  名称：

  Synthesis of acylthio derivatives of penta-O-acetylglycyrrhizic acid. Antiflammatory and antiulcerous properties

  摘要：

  DOI：

  10.1007/bf00768981