5β-androst-9(11)-ene-3α,17β-diol | 907571-63-5

• 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: 5β-androst-9(11)-ene-3α,17β-diol
• 英文别名: 5β-Androst-9(11)-en-3α,17β-diol；(3R,5R,8S,10S,13S,14S,17S)-10,13-Dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol；(3R,5R,8S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
• CAS: 907571-63-5
• 化学式: C₁₉H₃₀O₂
• 分子量: 290.446
• InChiKey: UGXQKXAWZRMXEH-HSTZUDBKSA-N

物化性质

• 熔点：
  226-228 °C
• 沸点：
  426.7±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)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5β-androst-9(11)-ene-3α,17β-diol 在 溶剂黄146 、 铂 作用下， 生成 5β-雄烷-3α,17β-二酮
  参考文献：
  名称：

  11-Oxygenated Steroids. I. Partial Syntheses of 11-Ketotestosterone and of Adrenosterone

  摘要：

  DOI：

  10.1021/ja01098a004
• 作为产物：
  描述：

  (3R,5R,8S,9S,10S,11S,13S,14S,17S)-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊二烯并[a]菲-3,11,17-三醇 在 三氟化硼乙醚 、 溶剂黄146 作用下， 生成 5β-androst-9(11)-ene-3α,17β-diol
  参考文献：
  名称：

  11-Oxygenated Steroids. I. Partial Syntheses of 11-Ketotestosterone and of Adrenosterone

  摘要：

  DOI：

  10.1021/ja01098a004

文献信息

• PREPARATION OF BILE ACIDS AND INTERMEDIATES THEREOF
  申请人：ALLERGAN SALES, LLC

  公开号：US20200317716A1

  公开（公告）日：2020-10-08

  Synthetic methods for preparing deoxycholic acid and intermediates thereof are provided.

  提供了用于制备脱氧胆酸及其中间体的合成方法。
• Preparation of bile acids and intermediates thereof
  申请人：Prasad Achampeta Rathan

  公开号：US20090270642A1

  公开（公告）日：2009-10-29

  Synthetic methods for preparing deoxycholic acid and intermediates thereof are provided.

  提供了合成去氧胆酸及其中间体的方法。
• Synthetic Bile Acid Composition, Method, and Preparation
  申请人：Kythera Biopharmaceuticals, Inc.

  公开号：EP2407475A2

  公开（公告）日：2012-01-18

  Bile acids and related compositions and methods of synthesis and use. More specifically, deoxycholic acid and related compositions, said compositions being free of all moieties of animal origin and free of pyrogenic moieties.

  胆汁酸和相关成分以及合成和使用方法。更具体地说，脱氧胆酸及相关组合物，所述组合物不含任何动物源性分子，也不含热源性分子。
• Methods for the preparation of deoxycholic acid, and intermediates useful in the preparation of deoxycholic acid
  申请人：BIONICE, S.L.U.

  公开号：US11117925B2

  公开（公告）日：2021-09-14

  The present invention relates to new and improved processes for the preparation of deoxycholic acid (DCA) and pharmaceutically acceptable salts thereof, as well as to novel intermediates useful for the preparation of DCA and pharmaceutically acceptable salts thereof. The starting compounds are steroids, sterols or fermented phytosterols of vegetable origin, being of formula SM:

  本发明涉及制备脱氧胆酸（DCA）及其药学上可接受的盐类的新的和改进的工艺，以及用于制备脱氧胆酸及其药学上可接受的盐类的新型中间体。起始化合物为植物来源的类固醇、甾醇或发酵植物甾醇，其式为 SM：
• synthetic bile acid preparation
  申请人：Kythera Biopharmaceuticals, Inc.

  公开号：EP2407475B1

  公开（公告）日：2015-08-12