Gluconasturtiin | 499-30-9

• 物质功能分类: 生物化工 - 中草药成分
• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Gluconasturtiin
• 英文别名: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-3-phenyl-N-sulfooxypropanimidothioate
• CAS: 499-30-9
• 化学式: C₁₅H₂₁NO₉S₂
• 分子量: 423.465
• InChiKey: CKIJIGYDFNXSET-OOMJLXHVSA-N

物化性质

• 密度：
  1.4442 (rough estimate)
• 稳定性/保质期：
  按规格使用和贮存，不会发生分解，避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  200
• 氢给体数：
  5
• 氢受体数：
  11

安全信息

• WGK Germany：
  3

制备方法与用途

合成制备方法

暂无相关信息。

用途

暂无相关信息。

反应信息

• 作为反应物：
  描述：

  Gluconasturtiin 在 aryl sulfatase 作用下， 以 aq. acetate buffer 为溶剂， 反应 7.0h， 生成 desulfogluconasturtiin
  参考文献：
  名称：

  Rapid and Efficient Desulfonation Method for the Analysis of Glucosinolates by High-Resolution Liquid Chromatography Coupled with Quadrupole Time-of-Flight Mass Spectrometry

  摘要：

  The goal of our present research was to develop a simple and rapid method for the quantitation of desulfoglucosinolates (desulfoGLS) without using column chromatography. The proposed method involves extraction, concentration, incubation of glucosinolates with a sulfatase enzyme, and HPLC analysis. Identification of desulfoGLS in green kohlrabi was performed by LC-HR-ESI-QTOF-MS in positive-ionization mode. A total of 11 desulfoGLS were identified with neoglucobrassicin (3.32 +/- 0.05 mu mol/g DW) as the predominant indolyl, whereas progoitrin and sinigrin were the major aliphatic desulfoGLS. The levels of the aliphatic desulfoGLS glucoiberin, progoitrin, and glucoerucin at 7 h were found to be 3.6-, 1.9-, and 1.6-fold higher, respectively, than those produced through the conventional method. This technique was successfully applied in the identification of desulfoGLS from cabbage. The developed method has fewer unit operations, has maximum recovery, and is reproducible in the determination of desulfoGLS in a large number of Brassicaceae samples in a short time.

  DOI：

  10.1021/acs.jafc.7b04662

文献信息

• Rapid and Efficient Desulfonation Method for the Analysis of Glucosinolates by High-Resolution Liquid Chromatography Coupled with Quadrupole Time-of-Flight Mass Spectrometry
  作者：Jashbir Singh、Guddadarangavvanahally K. Jayaprakasha、Bhimanagouda S. Patil

  DOI：10.1021/acs.jafc.7b04662

  日期：2017.12.20

  The goal of our present research was to develop a simple and rapid method for the quantitation of desulfoglucosinolates (desulfoGLS) without using column chromatography. The proposed method involves extraction, concentration, incubation of glucosinolates with a sulfatase enzyme, and HPLC analysis. Identification of desulfoGLS in green kohlrabi was performed by LC-HR-ESI-QTOF-MS in positive-ionization mode. A total of 11 desulfoGLS were identified with neoglucobrassicin (3.32 +/- 0.05 mu mol/g DW) as the predominant indolyl, whereas progoitrin and sinigrin were the major aliphatic desulfoGLS. The levels of the aliphatic desulfoGLS glucoiberin, progoitrin, and glucoerucin at 7 h were found to be 3.6-, 1.9-, and 1.6-fold higher, respectively, than those produced through the conventional method. This technique was successfully applied in the identification of desulfoGLS from cabbage. The developed method has fewer unit operations, has maximum recovery, and is reproducible in the determination of desulfoGLS in a large number of Brassicaceae samples in a short time.