EGCG-MOx-D6 | 1309591-69-2

• 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: EGCG-MOx-D6
• 英文别名: (1R,4aR,9bS)-4a,9-bis[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-6,7-dihydroxy-3-oxo-4,9b-dihydro-1H-pyrano[4,3-b][1]benzofuran-1-carboxylic acid
• CAS: 1309591-69-2
• 化学式: C₄₄H₃₄O₂₃
• 分子量: 930.74
• InChiKey: IHSHCSYMDJRAAV-ZPXPDPNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  67
• 可旋转键数：
  9
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  387
• 氢给体数：
  13
• 氢受体数：
  23

反应信息

• 作为产物：
  描述：

  (-)-表没食子儿茶素没食子酸酯 反应 20.0h， 以3.4 mg的产率得到EGCG-MOx-D5
  参考文献：
  名称：

  New Oxidation Products from (-)-Epigallocatechin Gallate in Neutral Solution

  摘要：

  Two new products, EGCG-MOx-D5 (3) and EGCG-MOx-D6 (4), on the oxidation of (-)-epigallocatechin gallate (EGCG) (1) in its aqueous solution were isolated and their structures were elucidated. These structures and those of previously established ones suggested the pathways of the changes in the oxidation. Rapid decrease of 1 accompanied by the formations of the oxidative products suggested the participation of these products in the biological and pharmacological effects reported to be those of 1.

  DOI：

  10.3987/com-10-s(e)81

文献信息

• New Oxidation Products from (-)-Epigallocatechin Gallate in Neutral Solution
  作者：Tsutomu Hatano、Takayo Ohyabu、Shoko Taniguchi、Hideyuki Ito

  DOI：10.3987/com-10-s(e)81

  日期：——

  Two new products, EGCG-MOx-D5 (3) and EGCG-MOx-D6 (4), on the oxidation of (-)-epigallocatechin gallate (EGCG) (1) in its aqueous solution were isolated and their structures were elucidated. These structures and those of previously established ones suggested the pathways of the changes in the oxidation. Rapid decrease of 1 accompanied by the formations of the oxidative products suggested the participation of these products in the biological and pharmacological effects reported to be those of 1.