batatin IV | 1309603-71-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: batatin IV
• CAS: 1309603-71-1
• 化学式: C₁₂₄H₂₂₀O₄₀
• 分子量: 2351.09
• InChiKey: BOMIFTHTYOOEMZ-BJDRQLICSA-N

物化性质

• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  17.15
• 重原子数：
  164.0
• 可旋转键数：
  71.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  548.24
• 氢给体数：
  12.0
• 氢受体数：
  40.0

反应信息

• 作为反应物：
  描述：

  batatin IV 在 水 、 potassium hydroxide 作用下， 反应 95.0h， 生成 月桂酸 、 正癸酸
  参考文献：
  名称：

  Batatins III–VI, glycolipid ester-type dimers from Ipomoea batatas

  摘要：

  Batatins III-VI (1-4), glycolipid ester-type dimers, were isolated from the tuberous roots of sweet potato (Ipomoea batatas) using recycle high performance liquid chromatography. Their structures were characterized by means of several high-resolution NMR and mass spectrometry techniques. These compounds are the first examples of ester-type dimers which consist of two units of the heterotetrasaccharide operculinic acid C. Each unit was esterified by a different amount and type of acid residues: (2S)-methylbutanoic, cinnamic, decanoic (capric) and dodecanoic (lauric) acids. Batatins III-VI (1-4) are an example of the presence of a large number of resin glycoside congeners in each morning glory species caused by partial acylation of their constitutive saccharide cores. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2011.03.002