3β-carboxy-4α-methyl-5α-cholestane | 153921-06-3

• 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: 3β-carboxy-4α-methyl-5α-cholestane
• CAS: 153921-06-3
• 化学式: C₂₉H₅₀O₂
• 分子量: 430.715
• InChiKey: VSHCHUQUPLGBQE-HXAWZWCQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.05
• 重原子数：
  31.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 3β-carboxy-4α-methyl-5α-cholestane 以 二氯甲烷 为溶剂， 生成 3β-carbomethoxy-4α-methyl-5α-cholestane
  参考文献：
  名称：

  Characterisation of novel 3-carboxyalkyl-steranes occurring in geological samples

  摘要：

  Three novel series of 3-carboxyalkyl-steranes have been identified by synthesis in sediments from an evaporitic basin. These compounds may derive from precursor steroids bearing a polyfunctionalised side-chain at C-3, yet unknown in living organisms. Geochemical data suggest a microalgal or a bacterial origin.

  DOI：

  10.1016/s0040-4020(01)89396-0
• 作为产物：
  描述：

  在 正丁基锂 、 高氯酸 、 jones reagent 、 Jones'reagent 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 、 水 、 丙酮 为溶剂， 反应 1.5h， 生成 3β-carboxy-4α-methyl-5α-cholestane
  参考文献：
  名称：

  Characterisation of novel 3-carboxyalkyl-steranes occurring in geological samples

  摘要：

  Three novel series of 3-carboxyalkyl-steranes have been identified by synthesis in sediments from an evaporitic basin. These compounds may derive from precursor steroids bearing a polyfunctionalised side-chain at C-3, yet unknown in living organisms. Geochemical data suggest a microalgal or a bacterial origin.

  DOI：

  10.1016/s0040-4020(01)89396-0

文献信息

• Characterisation of novel 3-carboxyalkyl-steranes occurring in geological samples
  作者：Philippe Schaeffer、Fabienne Fache-Dany、Sylvie Trifilieff、Jean M. Trendel、Pierre Albrecht(rk)

  DOI：10.1016/s0040-4020(01)89396-0

  日期：1994.1

  Three novel series of 3-carboxyalkyl-steranes have been identified by synthesis in sediments from an evaporitic basin. These compounds may derive from precursor steroids bearing a polyfunctionalised side-chain at C-3, yet unknown in living organisms. Geochemical data suggest a microalgal or a bacterial origin.