3-methylbut-3-enyl β-D-apiofuranosyl-(1->6)-β-D-glucopyranoside | 198832-72-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-methylbut-3-enyl β-D-apiofuranosyl-(1->6)-β-D-glucopyranoside
• 英文别名: I(2)-D-Glucopyranoside, 3-methyl-3-butenyl 6-O-D-apio-I(2)-D-furanosyl-；(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3-methylbut-3-enoxy)oxane-3,4,5-triol
• CAS: 198832-72-3
• 化学式: C₁₆H₂₈O₁₀
• 分子量: 380.392
• InChiKey: DZEALCQVCAOHSL-NOJQTOCASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  158
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 3-methylbut-3-enyl β-D-apiofuranosyl-(1->6)-β-D-glucopyranoside 在 吡啶 作用下， 反应 48.0h， 以1 mg的产率得到Acetic acid (3S,4R,5R)-4-acetoxy-3-acetoxymethyl-5-[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(3-methyl-but-3-enyloxy)-tetrahydro-pyran-2-ylmethoxy]-tetrahydro-furan-3-yl ester
  参考文献：
  名称：

  New Hemiterpene Glycosides in Vitis vinifera Wine

  摘要：

  Two new hemiterpene glycosides were isolated from a Vitis vinifera cv. Gewurztraminer wine and were identified by mass spectrometry and NMR spectroscopy as O-beta-D-apiofuranosyl-(1-->6)-O-beta-D-glucopyranosides of 3-methyl-2-butenol (1) and of 3-methyl-3-butenol (3).

  DOI：

  10.1021/np970281x

文献信息

• New Hemiterpene Glycosides in <i>Vitis vinifera</i> Wine
  作者：R. Baltenweck-Guyot、J.-M. Trendel、P. Albrecht、A. Schaeffer

  DOI：10.1021/np970281x

  日期：1997.12.1

  Two new hemiterpene glycosides were isolated from a Vitis vinifera cv. Gewurztraminer wine and were identified by mass spectrometry and NMR spectroscopy as O-beta-D-apiofuranosyl-(1-->6)-O-beta-D-glucopyranosides of 3-methyl-2-butenol (1) and of 3-methyl-3-butenol (3).