carpinusnin | 142543-15-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: carpinusnin
• 英文别名: (3S,4S)-4-[(2S)-3-carboxy-1-[[(4R,5S,7R,8R,11S,12S,13S,21S)-11-(carboxymethyl)-13,17,18-trihydroxy-7-(hydroxymethyl)-2,10,14-trioxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,15-tetraoxatetracyclo[10.7.1.14,8.016,20]henicosa-1(19),16(20),17-trien-21-yl]oxy]-1-oxopropan-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
• CAS: 142543-15-5
• 化学式: C₄₁H₃₄O₂₉
• 分子量: 990.704
• InChiKey: HNJGNQFGAVPUIQ-CMNCTBKUSA-N

物化性质

• 沸点：
  1496.0±65.0 °C(Predicted)
• 密度：
  2.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  70
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  481
• 氢给体数：
  13
• 氢受体数：
  29

反应信息

• 作为反应物：
  描述：

  carpinusnin 在 水 作用下， 反应 2.0h， 以8 mg的产率得到
  参考文献：
  名称：

  Two New Ellagitannin Metabolites, Carpinusin and Carpinusin from Carpinus laxiflora

  摘要：

  From the fresh leaves of Carpinus laxiflora (Betulaceae), two new hydrolyzable tannins, carpinusin (2) and carpinusnin (3), have been isolated, together with thirteen known hydrolyzable tannins and related compounds, and their structures were elucidated on the basis of physico-chemical evidence.

  DOI：

  10.3987/com-91-s49

文献信息

• Two New Ellagitannin Metabolites, Carpinusin and Carpinusin from Carpinus laxiflora
  作者：Genichiro Nonaka、Gen-ichiro Nonaka、Michiko Akazawa、Itsuo Nishioka

  DOI：10.3987/com-91-s49

  日期：——

  From the fresh leaves of Carpinus laxiflora (Betulaceae), two new hydrolyzable tannins, carpinusin (2) and carpinusnin (3), have been isolated, together with thirteen known hydrolyzable tannins and related compounds, and their structures were elucidated on the basis of physico-chemical evidence.