(3R)-3-O-β-D-glucopyranosyl-3-phenylpropanoic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (3R)-3-O-β-D-glucopyranosyl-3-phenylpropanoic acid
• 化学式: C₁₅H₂₀O₈
• 分子量: 328.319
• InChiKey: AORWXCAOOBWXKB-WYSIXCFFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.98
• 重原子数：
  23.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  136.68
• 氢给体数：
  5.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (3R)-3-O-β-D-glucopyranosyl-3-phenylpropanoic acid 在 盐酸 作用下， 以 水 为溶剂， 反应 10.0h， 生成 葡萄糖
  参考文献：
  名称：

  Phenylpropanoids from the stems ofEphedra sinica

  摘要：

  Two new compounds of phenylpropanoids, (S)-N-((1R,2S)-1-hydroxy-1-phenylpropan-2-yl)-5-oxopyrrolidine-2-carboxamide (1) and (3R)-3-O-beta-d-glucopyranosyl-3-phenylpropanoic acid (2), were isolated from the stems of Ephedra sinica. Their structures were elucidated by in-depth examination of spectroscopic data, mainly including those from the 1D and 2D NMR and HRESIMS techniques, and chemical method. The absolute configurations of the two compounds were also corroborated through CD procedure.

  DOI：

  10.1080/10286020.2015.1070831

文献信息

• Phenylpropanoids from the stems of<i>Ephedra sinica</i>
  作者：Dan Zhang、An-Jun Deng、Lin Ma、Zhi-Hong Li、Zhi-Hui Zhang、Jian-Dong Jiang、Hai-Lin Qin

  DOI：10.1080/10286020.2015.1070831

  日期：2016.3.3

  Two new compounds of phenylpropanoids, (S)-N-((1R,2S)-1-hydroxy-1-phenylpropan-2-yl)-5-oxopyrrolidine-2-carboxamide (1) and (3R)-3-O-beta-d-glucopyranosyl-3-phenylpropanoic acid (2), were isolated from the stems of Ephedra sinica. Their structures were elucidated by in-depth examination of spectroscopic data, mainly including those from the 1D and 2D NMR and HRESIMS techniques, and chemical method. The absolute configurations of the two compounds were also corroborated through CD procedure.