(20R,22S,5'R)-22-hydroxy-22-(3-methylisoxazolin-5-yl)-3α,5-cyclo-23-nor-5α-cholan-6-one

• 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,22S,5'R)-22-hydroxy-22-(3-methylisoxazolin-5-yl)-3α,5-cyclo-23-nor-5α-cholan-6-one
• 英文别名: (1S,2R,5R,7R,10S,11S,14R,15S)-14-[(1S,2R)-1-hydroxy-1-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]propan-2-yl]-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecan-8-one
• 化学式: C₂₆H₃₉NO₃
• 分子量: 413.601
• InChiKey: WXNHHJBMXNDSFO-BSQOAIESSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  58.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (2R)-2-[(1'S,2'R,5'R,7'R,10'S,11'S,14'R,15'S)-2',15'-dimethylspiro[1,3-dioxolane-2,8'-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecane]-14'-yl]propanal 在 magnesium 、 三乙胺 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 12.0h， 生成 (20R,22S,5'R)-22-hydroxy-22-(3-methylisoxazolin-5-yl)-3α,5-cyclo-23-nor-5α-cholan-6-one
  参考文献：
  名称：

  摘要：

  1,3-Dipolar addition of acetonitrile oxide to 20 alpha -methyl-22-hydroxy-23-ene-steroids and acetoxy derivatives thereof was investigated. The reaction is stereoselective and affords as the main product 5 'S-epimer resulting from syn-addition both in the case of allyl alcohol and its ether.

  DOI：

  10.1023/a:1012378929212

文献信息

• ——
  作者：R.P. Litvinovskaya、S.V. Drach、V.A. Khripach

  DOI：10.1023/a:1012378929212

  日期：——

  1,3-Dipolar addition of acetonitrile oxide to 20 alpha -methyl-22-hydroxy-23-ene-steroids and acetoxy derivatives thereof was investigated. The reaction is stereoselective and affords as the main product 5 'S-epimer resulting from syn-addition both in the case of allyl alcohol and its ether.