2,3,4,6,1',3',6'-hepta-O-benzoylsucrose | 131267-69-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,3,4,6,1',3',6'-hepta-O-benzoylsucrose
• CAS: 131267-69-1
• 化学式: C₆₁H₅₀O₁₈
• 分子量: 1071.06
• InChiKey: KSQIOFFHLPZSQA-ILIPRKQJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.66
• 重原子数：
  79.0
• 可旋转键数：
  19.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  232.02
• 氢给体数：
  1.0
• 氢受体数：
  18.0

反应信息

• 作为产物：
  描述：

  蔗糖苯甲酸酯 在 异丙胺 作用下， 反应 21.0h， 以0.22 g的产率得到2,3,4,6,1',3',6'-hepta-O-benzoylsucrose
  参考文献：
  名称：

  Sucrose octabenzoate: assignment of13C and1H resonances of the sucrose moiety and the13C resonances of the carbonyl carbons. Use of13C-n.m.r. spectroscopy for the study of selective deacylation

  摘要：

  Assignment of the 1H and 13C signals arising from the carbohydrate portion of sucrose octabenzoate has been achieved using homonuclear shift correlation experiments (COSY) and one-bond 1H-13C heteronuclear shift correlation measurements, respectively. The 13C resonances of the carbonyl carbon atoms of the eight benzoyl groups are readily distinguished for solutions in benzene-d6-pyridine-d5 (1:1), and have been assigned by means of three-bond 1H-13C shift correlation studies coupled with measurement of the 13C-n.m.r. spectrum of a sucrose octabenzoate specifically labelled with 13C in some of the carbonyl groups. With this assignment, products of partial deacylation of the octabenzoate may readily be identified by treatment with excess of benzoyl-carbonyl-13C chloride followed by measurement of the 13C-n.m.r. spectrum of the labelled sucrose octabenzoate, so prepared, in the carbonyl region.

  DOI：

  10.1016/0008-6215(90)80127-o