desgalloyl theasinensin F | 116310-07-7

• 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: desgalloyl theasinensin F
• 英文别名: Degalloyl theasinensin F；(2R,3R)-2-[4,5-dihydroxy-2-[2,3,4-trihydroxy-6-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl]phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol
• CAS: 116310-07-7；116403-63-5
• 化学式: C₃₀H₂₆O₁₃
• 分子量: 594.529
• InChiKey: KHLNJXULHHYAOM-IIJZBOQJSA-N

物化性质

• 沸点：
  1006.0±65.0 °C(Predicted)
• 密度：
  1.755±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  43
• 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：
  241
• 氢给体数：
  11
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  (-)-表没食子儿茶素 在 单宁酶 、 水 、 碳酸氢钠 、 potassium hexacyanoferrate(III) 作用下， 以 水 为溶剂， 反应 1.17h， 生成 desgalloyl theasinensin F
  参考文献：
  名称：

  Hashimoto, Fumio; Nonaka, Gen-Ichiro; Nishioka, Itsuo, Chemical and pharmaceutical bulletin, 1988, vol. 36, # 5, p. 1676 - 1684

  摘要：

  DOI：

文献信息

• Reaction of the Black Tea Pigment Theaflavin during Enzymatic Oxidation of Tea Catechins
  作者：Yan Li、Akane Shibahara、Yosuke Matsuo、Takashi Tanaka、Isao Kouno

  DOI：10.1021/np900618v

  日期：2010.1.22

  Degradation of the black tea Pigment theaflavin was examined in detail. Enzymatic oxidation of a mixture of epigallocatechin and epicatechin initially produced theaflavin, while prolonged reaction decreased the product. Addition of ethanol to the reaction mixture at the point when theaflavin began to decrease afforded four new products, together with theanaphthoquinone, a known oxidation product of theaflavin. The structures of (he new products were determined by spectroscopic methods. One of the products was an ethanol adduct of a theanaphthoquinone precursor, and this reacted with theaflavin to give two further products. A product generated by coupling of theaflavin with epicatechin quinone was also obtained. The Structures of the products indicate that oxidation and coupling with quinones are key reactions in the degradation of theaflavins. The degradation of theaflavin probably contributes to production of thearubigins.
• Hashimoto, Fumio; Nonaka, Gen-Ichiro; Nishioka, Itsuo, Chemical and pharmaceutical bulletin, 1988, vol. 36, # 5, p. 1676 - 1684
  作者：Hashimoto, Fumio、Nonaka, Gen-Ichiro、Nishioka, Itsuo

  DOI：——

  日期：——