trans-caffeoyl-6-O-D-glucono-γ-lactone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: trans-caffeoyl-6-O-D-glucono-γ-lactone
• 英文别名: [(2R)-2-[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyethyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
• 化学式: C₁₅H₁₆O₉
• 分子量: 340.287
• InChiKey: VFAMSKXGISQMEE-HRKCJWJUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  154
• 氢给体数：
  5
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  trans-caffeoyl-6-O-D-glucono-γ-lactone 在 盐酸 作用下， 以 水 为溶剂， 反应 1.0h， 生成 葡糖酸 、 咖啡酸
  参考文献：
  名称：

  A new caffeoylgluconic acid derivative from the nearly ripe fruits of Evodia rutaecarpa

  摘要：

  A new caffeoylgluconic acid derivative, trans-caffeoyl-6-O-d-gluconic acid methyl ester (1), together with two known compounds named trans-caffeoyl-6-O-d-glucono-gamma-lactone (2) and trans-caffeoyl-6-O-d-gluconic acid (3), was isolated from the nearly ripe fruits of Evodia rutaecarpa (Juss.) Benth.. These compounds were isolated by various separation methods associated with the UPLC-Q-TOF-MS technique. Their structures were elucidated on the basis of extensive spectroscopic methods.

  DOI：

  10.1080/14786419.2015.1024116

文献信息

• A new caffeoylgluconic acid derivative from the nearly ripe fruits of <i>Evodia rutaecarpa</i>
  作者：Ying He、Jie Li、Hong-Hua Wu、Xin Chai、Jing Yang、Yue-Fei Wang、Peng Zhang、Yan Zhu、Xiu-Mei Gao

  DOI：10.1080/14786419.2015.1024116

  日期：2015.7.3

  A new caffeoylgluconic acid derivative, trans-caffeoyl-6-O-d-gluconic acid methyl ester (1), together with two known compounds named trans-caffeoyl-6-O-d-glucono-gamma-lactone (2) and trans-caffeoyl-6-O-d-gluconic acid (3), was isolated from the nearly ripe fruits of Evodia rutaecarpa (Juss.) Benth.. These compounds were isolated by various separation methods associated with the UPLC-Q-TOF-MS technique. Their structures were elucidated on the basis of extensive spectroscopic methods.