linalyl sulfate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: linalyl sulfate
• 英文别名: 3,7-Dimethylocta-1,6-dien-3-yl hydrogen sulfate；3,7-dimethylocta-1,6-dien-3-yl hydrogen sulfate
• 化学式: C₁₀H₁₈O₄S
• 分子量: 234.317
• InChiKey: CHXXANANHRXBKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  72
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  芳樟醇 在 吡啶 、 三氧化硫吡啶 作用下， 以 四氯化碳 为溶剂， 生成 linalyl sulfate
  参考文献：
  名称：

  HPLC–ESI–MS/MS analysis of sulfated flavor compounds in plants

  摘要：

  Synthesis of six new flavor sulfates (benzyl sulfate, 2-phenylethyl sulfate, 2,5-dimethyl-4-hydroxy-3(2H)-furanone sulfate, alpha-ionol sulfate, vomifoliol sulfate, linalyl sulfate) was performed in order to screen for these compounds in plants. Structural elucidation was performed by NMR spectroscopy and a screening method developed by using high performance liquid chromatography-electrospray ionization tandem mass spectrometry (HPLC-ESI-MS/MS). The results obtained with various plant tissues indicate that sulfation of flavor compounds is a common pathway in plant metabolism. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(98)00526-3

文献信息

• HPLC–ESI–MS/MS analysis of sulfated flavor compounds in plants
  作者：Barbara Boss、Elke Richling、Markus Herderich、Peter Schreier

  DOI：10.1016/s0031-9422(98)00526-3

  日期：1999.1

  Synthesis of six new flavor sulfates (benzyl sulfate, 2-phenylethyl sulfate, 2,5-dimethyl-4-hydroxy-3(2H)-furanone sulfate, alpha-ionol sulfate, vomifoliol sulfate, linalyl sulfate) was performed in order to screen for these compounds in plants. Structural elucidation was performed by NMR spectroscopy and a screening method developed by using high performance liquid chromatography-electrospray ionization tandem mass spectrometry (HPLC-ESI-MS/MS). The results obtained with various plant tissues indicate that sulfation of flavor compounds is a common pathway in plant metabolism. (C) 1998 Elsevier Science Ltd. All rights reserved.