ergosterol-TMS | 2625-45-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: ergosterol-TMS
• 英文别名: ergosterol-3-TMS；Ergosterol TMS；[(3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane
• CAS: 2625-45-8
• 化学式: C₃₁H₅₂OSi
• 分子量: 468.839
• InChiKey: OPWXUPLJCANTIU-SCFYJWQTSA-N

物化性质

• 保留指数：
  3191;3191

计算性质

• 辛醇/水分配系数(LogP)：
  9.19
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  麦角固醇 、 三甲基硅咪唑 在 三甲基氯硅烷 作用下， 反应 0.17h， 生成 ergosterol-TMS
  参考文献：
  名称：

  Analysis of Ergosterol in Single Kernel and Ground Grain by Gas Chromatography−Mass Spectrometry

  摘要：

  A method for analyzing ergosterol in a single kernel and ground barley and wheat was developed using gas chromatography-mass spectrometry (GC-MS). Samples were saponified in methanolic KOH. Ergosterol was extracted by "one step" hexane extraction and subsequently silylated by N-trimethylsilylimidazole/trimethylchlorosilane (TMSI/TMCS) reagent at room temperature. The recoveries of ergosterol from ground barley were 96.6, 97.1, 97.1, 88.5, and 90.3% at the levels of 0.2, 1, 5, 10, and 20 mu g/ g (ppm), respectively. The recoveries from a single kernel were between 93.0 and 95.9%. The precision (coefficient of variance) of the method was in the range 0.8-12.3%. The method detection limit (MDL) and the method quantification limit (MQL) were 18.5 and 55.6 ng/g (ppb), respectively. The ergosterol analysis method developed can be used to handle 80 samples daily by one person, making it suitable for screening cereal cultivars for resistance to fungal infection. The ability for detecting low levels of ergosterol in a single kernel provides a tool to investigate early fungal invasion and to study mechanisms of resistance to fungal diseases.

  DOI：

  10.1021/jf060149f