4-butyl 1-(4-β-D-glucopyranosyloxy-benzyl)ester (2R)-2-hydroxy-2-(2-methylpropyl)-butanedioic acid | 1242139-43-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-butyl 1-(4-β-D-glucopyranosyloxy-benzyl)ester (2R)-2-hydroxy-2-(2-methylpropyl)-butanedioic acid
• 英文别名: bletillin A；armatuside；4-O-butyl 1-O-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-hydroxy-2-(2-methylpropyl)butanedioate
• CAS: 1242139-43-0
• 化学式: C₂₅H₃₈O₁₁
• 分子量: 514.57
• InChiKey: KVVOPGJYRWRIQF-PLBIBJIXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  36
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  172
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  4-butyl 1-(4-β-D-glucopyranosyloxy-benzyl)ester (2R)-2-hydroxy-2-(2-methylpropyl)-butanedioic acid 在 碳酸氢钠 作用下， 反应 2.0h， 以3 mg的产率得到(2R)-2-isobutylmalic acid
  参考文献：
  名称：

  Constituents from the heartwoods of Osmanthus armatus

  摘要：

  A new ester, armatuside (1), along with 13 known compounds (2-14), were obtained from the ethanolic extract of the heartwoods of Osmanthus armatus. The structures of all compounds were deduced using 1D, and 2D NMR spectroscopic methods. The absolute configuration of 1 was deduced by chemical correlation with a known compound. Compounds 2-14 were isolated from the plant for the first time.

  DOI：

  10.1080/14786410802689713

文献信息

• Constituents from the heartwoods of <i>Osmanthus armatus</i>
  作者：Ren-Jie Yin、Xue-Feng Huang、Ling-Yi Kong

  DOI：10.1080/14786410802689713

  日期：2010.6.15

  A new ester, armatuside (1), along with 13 known compounds (2-14), were obtained from the ethanolic extract of the heartwoods of Osmanthus armatus. The structures of all compounds were deduced using 1D, and 2D NMR spectroscopic methods. The absolute configuration of 1 was deduced by chemical correlation with a known compound. Compounds 2-14 were isolated from the plant for the first time.