prodelphinidin B3 | 78362-05-7

• 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: prodelphinidin B3
• 英文别名: gallocatechin-(4α->8)-gallocatechin；gallocatechin-(4α-8)-gallocatechin；(2R,3S)-2-(3,4,5-trihydroxyphenyl)-8-[(2R,3S,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
• CAS: 78362-05-7
• 化学式: C₃₀H₂₆O₁₄
• 分子量: 610.528
• InChiKey: RTEDIEITOBJPNI-MDPSILPBSA-N

物化性质

• 沸点：
  946.8±65.0 °C(Predicted)
• 密度：
  1.817±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  44
• 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：
  261
• 氢给体数：
  12
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  prodelphinidin B3 生成 Gallocatechin-(4α->8)-gallocatechin peracetate
  参考文献：
  名称：

  PETEREIT, FRANK;KOLODZIEJ, HERBERT;NAHRSTEDT, ADOLF, PHYTOCHEMISTRY, 30,(1991) N, C. 981-985

  摘要：

  DOI：

文献信息

• PETEREIT, FRANK;KOLODZIEJ, HERBERT;NAHRSTEDT, ADOLF, PHYTOCHEMISTRY, 30,(1991) N, C. 981-985
  作者：PETEREIT, FRANK、KOLODZIEJ, HERBERT、NAHRSTEDT, ADOLF

  DOI：——

  日期：——
• Dodecaacetylprodelphinidin B3 from the dried leaves of Ziziphus spina-christi
  作者：Klaus Weinges、Hartmut Schick

  DOI：10.1016/0031-9422(94)00574-d

  日期：1995.1

  The ethanolic extract (10% of the dried leaves) of Ziziphus spina-christi was acetylated leading to the isolation of a crystalline dodecaacetylprodelphinidin B3, which has not been described in the literature. Its structure was determined on the basis of its H-1 and C-13 NMR spectra. The main components of the extract are glucose (4.4%), sucrose (21%), dimers, oligomers and polymers of prodelphinidins (16%), betulinic acid (1.7%), sitosterol beta-D-glucoside (2%), (+)-gallocatechin (1.7%) and (-)-epigallocatechin (0.9%). The structures of the crystalline peracetates were proven by comparison with the physical properties described in the literature. Proanthocyanidins and betulinic acid seem to be chemotaxonomically characteristic of Ziziphus species.