8-表番木鳖酸 | 82509-41-9

• 物质功能分类: 生物化工 - 中草药成分
• 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: 8-表番木鳖酸
• 英文名称: 8-epiloganic acid
• 英文别名: (1S,4aS,6S,7S,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
• CAS: 82509-41-9
• 化学式: C₁₆H₂₄O₁₀
• 分子量: 376.361
• InChiKey: JNNGEAWILNVFFD-OZFVSFPVSA-N

物化性质

• 熔点：
  138-139 °C
• 沸点：
  646.3±55.0 °C(Predicted)
• 密度：
  1.60±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 8-表番木鳖酸 以0.7 mg的产率得到8-epiloganin
  参考文献：
  名称：

  Acylated Iridoid and Phenylethanoid Glycosides from the Aerial Parts of Scrophularia nodosa

  摘要：

  From the aerial parts of Scrophularia nodosa L. (Scrophulariaceae), eighteen acylated iridoid glycosides and nine phenylethanoid glycosides were isolated. The structures of eight new iridoid and two new phenylethanoid glycosides were elucidated on the basis of chemical and spectroscopic evidences.

  DOI：

  10.1021/np9805746
• 作为产物：
  描述：

  scrophuloside A1 在 sodium hydroxide 作用下， 反应 2.0h， 生成 8-表番木鳖酸
  参考文献：
  名称：

  Acylated Iridoid and Phenylethanoid Glycosides from the Aerial Parts of Scrophularia nodosa

  摘要：

  From the aerial parts of Scrophularia nodosa L. (Scrophulariaceae), eighteen acylated iridoid glycosides and nine phenylethanoid glycosides were isolated. The structures of eight new iridoid and two new phenylethanoid glycosides were elucidated on the basis of chemical and spectroscopic evidences.

  DOI：

  10.1021/np9805746