Androst-9(11)-en-17-one, 3-hydroxy-, (3beta,5alpha)- | 571-49-3

• 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: Androst-9(11)-en-17-one, 3-hydroxy-, (3beta,5alpha)-
• 英文别名: (3S,10S,13S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
• CAS: 571-49-3；14043-47-1；15375-18-5
• 化学式: C₁₉H₂₈O₂
• 分子量: 288.43
• InChiKey: VFORKMIYKGJSEC-AMESJLMYSA-N

物化性质

• 沸点：
  426.4±45.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Methods for the purification of deoxycholic acid
  申请人：ALLERGAN SALES LLC

  公开号：US10472384B2

  公开（公告）日：2019-11-12

  Synthetic methods for preparing deoxycholic acid and intermediates thereof, high purity synthetic deoxycholic acid, compositions and methods of use are provided. Also, provided are processes for the synthesis of 12-keto or 12-α-hydroxysteroids from Δ-9,11-ene, 11-keto or 11-hydroxy-β-steroids. This invention is also directed to novel compounds prepared during the synthesis. This invention is also directed to the synthesis of deoxycholic acid starting from hydrocortisone.

  提供了制备脱氧胆酸及其中间体的合成方法、高纯度合成脱氧胆酸、组合物和使用方法。此外，还提供了从Δ-9,11-烯、11-酮或 11-羟基-β-类固醇合成 12-酮或 12-α-羟基类固醇的工艺。本发明还涉及在合成过程中制备的新型化合物。本发明还涉及从氢化可的松开始合成脱氧胆酸。
• METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID
  申请人：Kythera Biopharmaceuticals, Inc.

  公开号：US20190135855A1

  公开（公告）日：2019-05-09

  Synthetic methods for preparing deoxycholic acid and intermediates thereof, high purity synthetic deoxycholic acid, compositions and methods of use are provided. Also, provided are processes for the synthesis of 12-keto or 12-α-hydroxysteroids from Δ-9,11-ene, 11-keto or 11-hydroxy-β-steroids. This invention is also directed to novel compounds prepared during the synthesis. This invention is also directed to the synthesis of deoxycholic acid starting from hydrocortisone.