resviniferin A | 1228291-62-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 2-芳基苯并呋喃类黄酮
• 英文名称: resviniferin A
• 英文别名: 5-[(E)-2-[3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]benzene-1,3-diol
• CAS: 1228291-62-0
• 化学式: C₄₂H₃₂O₉
• 分子量: 680.711
• InChiKey: BDJSWDYSJPVUJA-OWOJBTEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  51
• 可旋转键数：
  6
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  160
• 氢给体数：
  7
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  白藜芦醇 、 epsilon-白藜芦醇脱氢二聚体 在 horseradish peroxidase 、 双氧水 作用下， 以 水 、 丙酮 为溶剂， 反应 0.83h， 以4 mg的产率得到resviniferin A
  参考文献：
  名称：

  Structures of Two Novel Trimeric Stilbenes Obtained by Horseradish Peroxidase Catalyzed Biotransformation of trans-Resveratrol and (−)-ε-Viniferin

  摘要：

  Two stilbenes, trans-resveratrol and (-)-epsilon-viniferin, as well as a mixture of both, were biotransformed using horseradish peroxidase and hydrogen peroxide. Under the applied conditions trans-resveratrol afforded one major product, which was identified as trans-delta-viniferin, a resveratrol trans-dehydrodimer. Large-scale biotransformation of a mixture of trans-resveratrol and (-)-epsilon-viniferin yielded two novel resveratrol trimers, resviniferin A and resviniferin B, which were obtained in a pure form after fractionation by high-speed countercurrent chromatography and final purification by preparative HPLC. Their structures were established by means of mass spectrometry and 2D NMR spectroscopic analyses, including HSQC, HMBC, COSY, and ROESY.

  DOI：

  10.1021/jf100606p