pavetannin A | 157086-14-1

• 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: pavetannin A
• 英文别名: (1S,5S,6R,13R,21S)-5,13-bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
• CAS: 157086-14-1
• 化学式: C₃₀H₂₄O₁₂
• 分子量: 576.513
• InChiKey: NSEWTSAADLNHNH-BDHPMLJSSA-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：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  210
• 氢给体数：
  9
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 pavetannin A 在 吡啶 作用下， 生成 pavetannin A nona-acetate
  参考文献：
  名称：

  A-type Proanthocyanidins from stem-bark of Pavetta owariensis

  摘要：

  In a chemical investigation on the stem-bark of Pavetta owariensis, a new proanthocyanidin A-type, ent-epicatechin (4-alpha --> 8,2-alpha --> O --> 7)-ent-catechin designated as pavetannin A1, was isolated as second representative of a (2-alpha, 4-alpha) A-type proanthocyanidin. Additionally, the occurrence of (+)-catechin, (-)-epicatechin, ent-epicatechin, proanthocyanidin A-2 and proanthocyanidin A-4 was demonstrated, the latter being reported from a natural source for the second time.

  DOI：

  10.1016/0031-9422(91)84150-q

文献信息

• A-type Proanthocyanidins from stem-bark of Pavetta owariensis
  作者：A.M. Baldé、L.A. Pieters、A. Gergely、H Kolodziej、M. Claeys、A.J. Vlietinck

  DOI：10.1016/0031-9422(91)84150-q

  日期：1991.1

  In a chemical investigation on the stem-bark of Pavetta owariensis, a new proanthocyanidin A-type, ent-epicatechin (4-alpha --> 8,2-alpha --> O --> 7)-ent-catechin designated as pavetannin A1, was isolated as second representative of a (2-alpha, 4-alpha) A-type proanthocyanidin. Additionally, the occurrence of (+)-catechin, (-)-epicatechin, ent-epicatechin, proanthocyanidin A-2 and proanthocyanidin A-4 was demonstrated, the latter being reported from a natural source for the second time.