4,5-diacetyloxy-2-methoxy-3-[(2R,3S,4R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]benzoic acid | 1309087-68-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,5-diacetyloxy-2-methoxy-3-[(2R,3S,4R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]benzoic acid
• CAS: 1309087-68-0
• 化学式: C₂₆H₃₀O₁₆
• 分子量: 598.515
• InChiKey: LYLJPRYWMSIMRQ-LTWLMLOISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  42
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  214
• 氢给体数：
  1
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  3αC-glucopyranosil-4,5-dihydroxy-2-methoxybenzoic acid 、 乙酸酐 在 4-二甲氨基吡啶 作用下， 以 吡啶 为溶剂， 反应 24.0h， 以23 mg的产率得到4,5-diacetyloxy-2-methoxy-3-[(2R,3S,4R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]benzoic acid
  参考文献：
  名称：

  A C-glucoside benzoic acid derivative from the leaves of Peltophorum dubium

  摘要：

  From the methanolic extract of the leaves of Peltophorum dubium Taub (Leguminosae) was isolated after successive chromatographic procedures a new C-glucoside benzoic acid derivative, 3 alpha C-glucopyranosil-4,5- dihydroxy-2-methoxy-benzoic acid. The structure of this compound was determined by 1D and 2D NMR and MS data analysis. The new compound showed moderate antioxidant activity in the assay and the auto-oxidation of beta-carotene in a linolenic acid suspension method. (C) 2010 Phytochemical Society of Europe. Published by Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.phytol.2010.07.002