5-ethylpyranomalvidin-3-glucoside | 1311158-29-8

• 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: 5-ethylpyranomalvidin-3-glucoside
• CAS: 1311158-29-8
• 化学式: C₂₇H₂₉O₁₂
• 分子量: 545.52
• InChiKey: DZCCPYXPJQHWSP-WBYCZGBQSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  2.13
• 重原子数：
  39.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  178.83
• 氢给体数：
  6.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  锦葵素-3-O-葡萄糖苷 、 3-氧代戊酸 以 水 为溶剂， 反应 360.0h， 以10%的产率得到5-ethylpyranomalvidin-3-glucoside
  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

文献信息

• Synthesis of a new pyranoanthocyanin dimer linked through a methyl-methine bridge
  作者：Joana Oliveira、Nuno Mateus、José E. Rodriguez-borges、Eurico J. Cabrita、Artur M.S. Silva、Victor de Freitas

  DOI：10.1016/j.tetlet.2011.03.125

  日期：2011.6

  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.