proepitheaflagallin B | 1138796-60-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮
• 英文名称: proepitheaflagallin B
• CAS: 1138796-60-7
• 化学式: C₃₀H₂₄O₁₄
• 分子量: 608.512
• InChiKey: SLHHDPRKEBJRMX-YLJAVHFPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.04
• 重原子数：
  44.0
• 可旋转键数：
  1.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  243.9
• 氢给体数：
  9.0
• 氢受体数：
  14.0

反应信息

• 作为产物：
  描述：

  (-)-表没食子儿茶素 在 Japanese pear homogenate 作用下， 反应 1.0h， 以1.9%的产率得到proepitheaflagallin B
  参考文献：
  名称：

  Production mechanism of proepitheaflagallin, a precursor of benzotropolone-type black tea pigment, derived from epigallocatechin via a bicyclo[3.2.1]octane-type intermediate

  摘要：

  An unstable intermediate proepitheaflagallin B (2), a precursor of proepitheaflagallin (3), was isolated as an enzymatic oxidation product of (-)-epigallocatechin (1), and the structure of 2 was determined based on spectroscopic data. The structure and its decomposition revealed that the detailed production mechanism of proepitheaflagallin (3) via a bicyclo[3.2.1]octane-type intermediate was related to that of major black tea pigments. theaflavins. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.01.030