(2R,13R,14S,15S,17S)-17-hydroxy-2,13,14,15-tetramethyl-14-propanoyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one | 49697-38-3

• 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: (2R,13R,14S,15S,17S)-17-hydroxy-2,13,14,15-tetramethyl-14-propanoyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one
• 英文别名: (10R,11S,13S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-17-propanoyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
• CAS: 49697-38-3
• 化学式: C₂₄H₃₄O₃
• 分子量: 370.5
• InChiKey: QTTRZHGPGKRAFB-PAIWTFDUSA-N

物化性质

• 熔点：
  258-268 ºC
• 比旋光度：
  D +100° (c = 0.92 in pyridine)
• 沸点：
  507.0±50.0 °C(Predicted)
• 密度：
  1.12
• 物理描述：
  Solid
• 溶解度：
  1.21e-02 g/L

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  11β-(trimethylsiloxy)-16α,17α,21-trimethylpregna-1,4-dien-3,20-dione 以97的产率得到(2R,13R,14S,15S,17S)-17-hydroxy-2,13,14,15-tetramethyl-14-propanoyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one
  参考文献：
  名称：

  J. Org. Chem. 1999, 64, 1042-1044

  摘要：

  DOI：

文献信息

• Alkylated 3,20-diketo-d{hu 4{b -steroids of the pregnane series
  申请人：AKZONA INCORPORATED

  公开号：US03862194A1

  公开（公告）日：1975-01-21

  The invention relates to novel alkylated steroids of the pregnane series having the formula:

  本发明涉及一种具有以下式的新型孕烷系列烷基化类固醇：
• Formulation and Method for Treating Interstitial Cystitis and Related Bladder Conditions
  申请人：Potter Jeffrey A.

  公开号：US20080275015A1

  公开（公告）日：2008-11-06

  The invention of this application relates to a formulation and method of using the formulation for the treatment of interstitial cystitis and other similar conditions of the bladder. The formulation of this invention is a highly specialized, compounded pharmaceutical that contains a combination of numerous therapeutically different medications in a unique delivery vehicle and system. The individual components of the formulation work synergistically to restore and repair each of the different issues associated with interstitial cystitis. The individual components of the formulation exist in an aqueous vehicle to facilitate drug contact with the bladder wall. The formulation is instilled directly into the bladder, commonly in a physician's office.
• US7927613B2
  申请人：——

  公开号：US7927613B2

  公开（公告）日：2011-04-19