4-[17α-(Acetoxymethyl)-17β-hydroxy-3-oxoestra-4,9-dien-11β-yl]-benzoic Acid | 952408-23-0

• 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: 4-[17α-(Acetoxymethyl)-17β-hydroxy-3-oxoestra-4,9-dien-11β-yl]-benzoic Acid
• 英文别名: 4-[(8S,11R,13S,14S,17S)-17-(acetyloxymethyl)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]benzoic acid
• CAS: 952408-23-0
• 化学式: C₂₈H₃₂O₆
• 分子量: 464.558
• InChiKey: AAIHUUDALSOJOA-KZEXJIRGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• 17alpha-substituted 4-(3-oxoestra-4,9-dien-11beta-yl)-benzoic acid, its derivatives and process for its production
  申请人：Schubert Gerd

  公开号：US20070249573A1

  公开（公告）日：2007-10-25

  This invention relates to 17α-substituted 4-(3-oxoestra-4,9-dien-11β-yl)-benzoic acids and derivatives thereof, a process for the production of these compounds, the use of the compounds for the production of pharmaceutical agents as well as pharmaceutical compositions that contain these compounds.