3α,6β-dichlorocholestane | 3946-64-3

• 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: 3α,6β-dichlorocholestane
• 英文别名: 3α.6β-dichloro-5α-cholestane；3α.6β-Dichlor-5α-cholestan
• CAS: 3946-64-3
• 化学式: C₂₇H₄₆Cl₂
• 分子量: 441.568
• InChiKey: WKCRMXHOXSSXLQ-LNNCCXOPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.93
• 重原子数：
  29.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  3α,6β-dichlorocholestane 在 异戊醇 、 sodium 作用下， 生成 5alpha-胆甾烷
  参考文献：
  名称：

  Measurement of Odor Intensity by an Electronic Nose

  摘要：

  The possibility of using electronic noses (ENs) to measure odor intensity was investigated in this study. TWO commercially available ENs, an Aromascan A32S with conducting polymer sensors and an Alpha M.O.S. Fox 3000 with metal oxide sensors, as well as an experimental EN made of Taguchi-type tin oxide sensors, were used in the experiments. Odor intensity measurement by sensory analysis and EN sensor response were obtained for samples of odorous compounds (n-butanol, CH3COCH3, and C2H5SH) and for binary mixtures of odorous compounds (n-butanol and CH3COCH3). Linear regression analysis and artificial neural networks (ANN) were used to establish a relationship between odor intensity and EN sensor responses.The results suggest that large differences in sensor response to samples of equivalent odor intensity exist and that sensitivity to odorous compounds varies according to the type of sensors. A linear relationship between odor intensify and averaged sensor response was found to be appropriate for the EN based on conducting polymer sensors with a correlation coefficient (r) of 0.94 between calculated and measured odor intensity. However, the linear regression approach was shown to be inadequate for both ENs, which included metal oxide-type sensors. Very strong correlation (r = 0.99) between measured odor intensity and calculated odor intensity using the ANN developed were obtained for both commercial ENs. A weaker correlation (r = 0.84) was found for the experimental instrument, suggesting an insufficient number of sensors and/or not enough diversity in sensor responses. The results demonstrated the ability of ENs to measure odor intensity associated with simple mixtures of odorous compounds and suggest that ANN are appropriate to model the relationship between odor intensity measurement and EN sensor response.

  DOI：

  10.1080/10473289.2000.10464202
• 作为产物：
  描述：

  6α-羟基-5α-胆甾烷 在 五氯化磷 作用下， 生成 3α,6β-dichlorocholestane
  参考文献：
  名称：

  Measurement of Odor Intensity by an Electronic Nose

  摘要：

  The possibility of using electronic noses (ENs) to measure odor intensity was investigated in this study. TWO commercially available ENs, an Aromascan A32S with conducting polymer sensors and an Alpha M.O.S. Fox 3000 with metal oxide sensors, as well as an experimental EN made of Taguchi-type tin oxide sensors, were used in the experiments. Odor intensity measurement by sensory analysis and EN sensor response were obtained for samples of odorous compounds (n-butanol, CH3COCH3, and C2H5SH) and for binary mixtures of odorous compounds (n-butanol and CH3COCH3). Linear regression analysis and artificial neural networks (ANN) were used to establish a relationship between odor intensity and EN sensor responses.The results suggest that large differences in sensor response to samples of equivalent odor intensity exist and that sensitivity to odorous compounds varies according to the type of sensors. A linear relationship between odor intensify and averaged sensor response was found to be appropriate for the EN based on conducting polymer sensors with a correlation coefficient (r) of 0.94 between calculated and measured odor intensity. However, the linear regression approach was shown to be inadequate for both ENs, which included metal oxide-type sensors. Very strong correlation (r = 0.99) between measured odor intensity and calculated odor intensity using the ANN developed were obtained for both commercial ENs. A weaker correlation (r = 0.84) was found for the experimental instrument, suggesting an insufficient number of sensors and/or not enough diversity in sensor responses. The results demonstrated the ability of ENs to measure odor intensity associated with simple mixtures of odorous compounds and suggest that ANN are appropriate to model the relationship between odor intensity measurement and EN sensor response.

  DOI：

  10.1080/10473289.2000.10464202

文献信息

• Reactions in dry media: reactions of cholesterol and cholestanes on silica bound ferric chloride
  作者：Daniel M. Tal、Ehud Keinan、Yehuda Mazur

  DOI：10.1016/0040-4020(81)85029-6

  日期：1981.1

  Reaction of cholesterol with silica bound FeCl3 resulted in a mixture of 3β-cholesteryl chloride and dicholesteryl ether.

  胆固醇与二氧化硅键合的FeCl 3的反应产生了3β-胆固醇酰氯和二胆固醇酯醚的混合物。
• Shoppee et al., Journal of the Chemical Society, 1964, p. 4996,5000
  作者：Shoppee et al.

  DOI：——

  日期：——