[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (1R,5R,9S,10R,13S)-13-[[(2S,4R,5S)-4-[[(2R,3E)-2-[(3S,4Z)-1,3-dihydroxy-4-phenylmethoxycarbonyliminobutan-2-yl]oxy-3-phenylmethoxycarbonyliminopropoxy]methyl]-5-hydroxy-6-(hydroxymethyl)-3-[(2R,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

• 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: [(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (1R,5R,9S,10R,13S)-13-[[(2S,4R,5S)-4-[[(2R,3E)-2-[(3S,4Z)-1,3-dihydroxy-4-phenylmethoxycarbonyliminobutan-2-yl]oxy-3-phenylmethoxycarbonyliminopropoxy]methyl]-5-hydroxy-6-(hydroxymethyl)-3-[(2R,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
• 化学式: C₆₉H₉₈N₂O₃₀
• 分子量: 1435.5
• InChiKey: DPOWMXYPOXHAAT-JSFKDGBRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  101
• 可旋转键数：
  30
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  490
• 氢给体数：
  15
• 氢受体数：
  30

文献信息

• Method And System For Detection Of Natural High Intensity Sweeteners That Contain Hydroxyl Groups
  申请人：Gabaldon Hernandez Jose Antonio

  公开号：US20140234876A1

  公开（公告）日：2014-08-21

  The present invention provides a hapten derivative and conjugate of a natural high intensity sweetener containing hydroxyl groups. The conjugate can be used to produce antibodies specific against the natural high intensity sweetener. The present invention further provides a kit and method for detecting and quantifying the natural high intensity sweetener in a sample.