ent-catechin-(4β→8)-catechin

• 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: ent-catechin-(4β→8)-catechin
• 英文别名: (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
• 化学式: C₃₀H₂₆O₁₂
• 分子量: 578.529
• InChiKey: XFZJEEAOWLFHDH-KIBWQBKSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  42
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  221
• 氢给体数：
  10
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  (2R,3S)-5,7-二(苄氧基)-2-[3,4-二(苄氧基)苯基]-3-色满醇 在 palladium on activated charcoal 氢气 、 四氯化钛 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 ent-catechin-(4β→8)-catechin
  参考文献：
  名称：

  Deuterium labeled procyanidin syntheses

  摘要：

  Deuterium-labeled procyanidins have been prepared by hemisynthesis from taxifolin in order to investigate their metabolism in human. The structures of the desired deuterated natural compounds B3 10D (R-1=D, R-2=H) and B4 13D (R-1=D, R-2=H) were proven by spectroscopic and physical properties means, including H-2 NMR spectrum. By-products with unatural absolute configuration at some centers were also formed along the process and were characterised. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)01269-0

文献信息

• Deuterium labeled procyanidin syntheses
  作者：Marie-Clotilde Pierre、Catherine Chèze、Joseph Vercauteren

  DOI：10.1016/s0040-4039(97)01269-0

  日期：1997.8

  Deuterium-labeled procyanidins have been prepared by hemisynthesis from taxifolin in order to investigate their metabolism in human. The structures of the desired deuterated natural compounds B3 10D (R-1=D, R-2=H) and B4 13D (R-1=D, R-2=H) were proven by spectroscopic and physical properties means, including H-2 NMR spectrum. By-products with unatural absolute configuration at some centers were also formed along the process and were characterised. (C) 1997 Elsevier Science Ltd.