(2S,3R,4S,5S,6R)-2-[[11-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-7-[1-[11-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxa-2-oxoniatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,9,11-hexaen-3-yl]ethylidene]-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5,9(13),10-pentaen-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 1311158-31-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: (2S,3R,4S,5S,6R)-2-[[11-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-7-[1-[11-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxa-2-oxoniatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,9,11-hexaen-3-yl]ethylidene]-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5,9(13),10-pentaen-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS: 1311158-31-2
• 化学式: C₅₂H₅₁O₂₄
• 分子量: 1059.96
• InChiKey: GOWKYBAJXVRPKO-KZFBNFFYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  76
• 可旋转键数：
  13
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  345
• 氢给体数：
  12
• 氢受体数：
  23

反应信息

• 作为产物：
  描述：

  5-ethylpyranomalvidin-3-glucoside 、 vitisin A 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 360.0h， 以15%的产率得到(2S,3R,4S,5S,6R)-2-[[11-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-7-[1-[11-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxa-2-oxoniatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,9,11-hexaen-3-yl]ethylidene]-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5,9(13),10-pentaen-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  参考文献：
  名称：

  Synthesis of a new pyranoanthocyanin dimer linked through a methyl-methine bridge

  摘要：

  Two new anthocyanin-derived compounds corresponding to the ethylpyranomalvidin-3-glucoside and the pyranomalvidin-3-glucoside dimer linked through a methyl-methine bridge were synthesized for the first time and their structure characterized by LC-DAD/MS and NMR spectroscopy. The latter was obtained in a hydroalcoholic model solution through the reaction of the carboxypyranomalvidin-3-glucoside with ethylpyranomalvidin-3-glucoside and displays a blue/green color in solution. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.03.125