(20R)-3α,5α-cyclo-6β-methoxy-2-ethylpregnane | 107425-79-6

• 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: (20R)-3α,5α-cyclo-6β-methoxy-2-ethylpregnane
• 英文别名: (1S,2R,5R,7R,8R,10S,11S,14R,15R)-14-[(2R)-butan-2-yl]-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane
• CAS: 107425-79-6
• 化学式: C₂₄H₄₀O
• 分子量: 344.581
• InChiKey: YBCJYUYVOHXETB-RWNQQKCBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (20R)-3α,5α-cyclo-6β-methoxy-2-ethylpregnane 在 水 、 对甲苯磺酸 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以28 mg的产率得到(20R)-20-ethylpregn-5-en-3β-ol
  参考文献：
  名称：

  Short side chain sterols from the tunicate Polizoa opuntia

  摘要：

  The sterol composition of the Patagonian tunicate Polizoa opuntia was examined, and twenty-four compounds ,cere identified as having either a Delta(5), Delta(7), or Delta(0) nucleus. Two of them, the rare 20-methylpregn-5-en-3 beta-ol and 20-ethylpregn-5-en-3 beta-ol, were previously unreported as natural products from tunicates. These compounds were present only as trace components; therefore, their structures were confirmed by synthesis from suitnble precursors and by comparison of the spectral and chromatographic constants of the synthetic and natural compounds.

  DOI：

  10.1016/0039-128x(95)00167-o
• 作为产物：
  描述：

  3α,5-cyclo-6β-methoxy-pregna-22-aldehyde 在 palladium on activated charcoal 正丁基锂 、 氢气 作用下， 以 四氢呋喃 、 正己烷 、 乙酸乙酯 为溶剂， 反应 39.0h， 生成 (20R)-3α,5α-cyclo-6β-methoxy-2-ethylpregnane
  参考文献：
  名称：

  Short side chain sterols from the tunicate Polizoa opuntia

  摘要：

  The sterol composition of the Patagonian tunicate Polizoa opuntia was examined, and twenty-four compounds ,cere identified as having either a Delta(5), Delta(7), or Delta(0) nucleus. Two of them, the rare 20-methylpregn-5-en-3 beta-ol and 20-ethylpregn-5-en-3 beta-ol, were previously unreported as natural products from tunicates. These compounds were present only as trace components; therefore, their structures were confirmed by synthesis from suitnble precursors and by comparison of the spectral and chromatographic constants of the synthetic and natural compounds.

  DOI：

  10.1016/0039-128x(95)00167-o