methyl (1S,2S,10S,11S,13R,14R,15S,17S)-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-diene-14-carboxylate | 159264-50-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子
• 英文名称: methyl (1S,2S,10S,11S,13R,14R,15S,17S)-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-diene-14-carboxylate
• CAS: 159264-50-3
• 化学式: C₂₂H₂₈O₅
• 分子量: 372.5
• InChiKey: KOPXMQMEBZHHNG-XGKZOERBSA-N

物化性质

• 沸点：
  501.1±50.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  76.1
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• A PROCESS FOR THE PREPARATION OF 6 ALFA-FLUORO STEROIDS BY ISOMERISATION OF 6.BETA.-FLUOROSTEROIDS
  申请人：Farmabios S.p.A.

  公开号：EP1497310A2

  公开（公告）日：2005-01-19
• Process for the preparation of 6alpha-fluoro steroids by isomerisation of 6beta-fluorosteroids
  申请人：Cainelli Gianfranco

  公开号：US20050192437A1

  公开（公告）日：2005-09-01

  The process for the preparation of 6α-fluoro steroids, comprising the reaction of the corresponding 6β-fluoro steroids, or of 6α/6β isomeric mixtures with an organic base having a diazo iminic group, in a suitably selected organic solvent, is described.
• [EN] A PROCESS FOR THE PREPARATION OF 6alpha-FLUORO STEROIDS BY ISOMERISATION OF 6beta-FLUOROSTEROIDS<br/>[FR] PROCEDE DE PREPARATION DE 620031009
  申请人：FARMABIOS SRL

  公开号：WO2003082896A2

  公开（公告）日：2003-10-09

  The process for the preparation of 6α-fluoro steroids, comprising the reaction of the corresponding 6β-fluoro steroids, or of 6α/6β isomeric mixtures with an organic base having a diazo iminic group, in a suitably selected organic solvent, is described.