| 1218941-84-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• CAS: 1218941-84-4
• 化学式: C₄₈H₆₆O₂₂
• 分子量: 995.039
• InChiKey: FHGAHIQCVFBROC-XJJUDUNZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.84
• 重原子数：
  70.0
• 可旋转键数：
  29.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  329.49
• 氢给体数：
  9.0
• 氢受体数：
  22.0

反应信息

• 作为产物：
  描述：

  divinyl tridecanedioate 、 曲克芦丁 在 吡啶 、 alkaline protease from Bacillus subtilis 作用下， 反应 120.0h， 生成
  参考文献：
  名称：

  Regioselective enzymatic acylation of troxerutin in nonaqueous medium

  摘要：

  A series of monosubstituted troxerutin esters have been synthesized by enzyme-catalyzed regioselective acylation of troxerutin in nonaqueous medium. Using divinyl dicarboxylates (CH2 CH-OOC-(CH2)(n)-COO-CH CH2, n = 2, 3, 4, 7, 8, 11) featuring different chain length as acyl donors and alkaline protease from Bacillus subtilis as catalyst, troxerutin was regioselective acylated at B' ethoxyl group. The results indicated that the regioselectivity of the enzyme-catalyzed acylation was not affected by the chain length of the acyl donor. (C) 2009 Yong Mei Xiao. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2009.08.017