对香豆酰奎尼酸 | 87099-74-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 对香豆酰奎尼酸
• 英文名称: 3-O-(cis-p-coumaroyl)quinic acid
• 英文别名: 3-O-cis-pcoumaroyl-D-quinic acid；3-O-[Z]-p-coumaroylquinic acid；cis 3-O-p-coumaroylquinic acid；cis-3-O-p-coumaroylquinic acid；cis-5-p-coumaroylquinic acid；3-coumaroylquinic acid cis；3-p-Coumaroylquinic acid, (Z)-；(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
• CAS: 87099-74-9
• 化学式: C₁₆H₁₈O₈
• 分子量: 338.314
• InChiKey: BMRSEYFENKXDIS-ZARITIHLSA-N

物化性质

• 沸点：
  613.2±55.0 °C(Predicted)
• 密度：
  1.55±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  145
• 氢给体数：
  5
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  对香豆酰奎尼酸 在 sulfatase 作用下， 反应 3.0h， 生成 4-羟基肉桂酸 、 4-香豆酸
  参考文献：
  名称：

  Identification and Quantification of Phenolic Compounds from the Forage Legume Sainfoin (Onobrychis viciifolia)

  摘要：

  Phenolic compounds of sainfoin (Onobrychis viciifolia) variety Cotswold Common are assumed to contribute to its nutritive value and bioactive properties. A purified acetone/water extract was separated by Sephadex LH-20 gel chromatography. Sixty-three phenolic and other aromatic compounds were identified by means of chemical, chromatographic, and spectroscopic methods. Reverse phase HPLC with diode array and chemical reaction detection was used to investigate the phenolic composition of different plant organs. All plant parts showed specific phenolic profiles. Moreover, there were considerable variations in the phenolic content among individual plants of the same variety. The three most abundant phenolic compounds were found to be arbutin [predominant in petiols, 17.7 mg/g of dry weight (DW)], rutin (predominant in leaves, 19.9 mg/g of DW), and catechin (predominant flavanol in petiols, 3.5 mg/g of DW). The present study reveals that the phenolic profile of sainfoin is even more complex than hitherto assumed.

  DOI：

  10.1021/jf900625r