(2R,3S)-2-(3,4-dihydroxyphenyl)-6-(((2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-6-yl)(5-(hydroxymethyl)furan-2-yl)methyl)-8-(((2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-8-yl)(5-(hydroxymethyl)furan-2-yl)methyl)chromane-3,5,7-triol | 1007363-63-4

• 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: (2R,3S)-2-(3,4-dihydroxyphenyl)-6-(((2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-6-yl)(5-(hydroxymethyl)furan-2-yl)methyl)-8-(((2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-8-yl)(5-(hydroxymethyl)furan-2-yl)methyl)chromane-3,5,7-triol
• CAS: 1007363-63-4
• 化学式: C₅₇H₅₀O₂₂
• 分子量: 1087.01
• InChiKey: DFWQZTZHYUPKOH-UFWQJAOPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  79.0
• 可旋转键数：
  11.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  397.88
• 氢给体数：
  17.0
• 氢受体数：
  22.0

反应信息

• 作为产物：
  描述：

  5-羟甲基糠醛 、 儿茶提取物 在 酒石酸 、 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 2040.0h， 生成 (2R,3S,11S,12R)-2,12-bis(3,4-dihydroxyphenyl)-14-(5-(hydroxymethyl)furan-2-yl)-3,4,11,12-tetrahydro-2H,10H,14H-dipyrano[2,3-a:3',2'-j]xanthene-3,5,9,11-tetraol 、 (2R,3S)-2-(3,4-dihydroxyphenyl)-6-(((2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-6-yl)(5-(hydroxymethyl)furan-2-yl)methyl)-8-(((2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-8-yl)(5-(hydroxymethyl)furan-2-yl)methyl)chromane-3,5,7-triol 、
  参考文献：
  名称：

  Study by LC/ESI/MSn and ESI/HR/MS of SO2 interactions in flavanols–aldehydes nucleophilic reactions

  摘要：

  The study concerns the interactions between (+)-catechin and a representative oak wood aldehyde (5-(hydroxymethyl)furfuraldehyde for furanic aldehydes and vanillin for phenolic aldehydes) in a wine-like model solution in presence or not of SO2. The formed condensation products were characterised by LC/MS, LC/ESI/MS", and ESI/HR/MS and we studied the effect of SO2 on these condensation reactions. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.foodchem.2009.08.029