(3S,10R,13R,17R)-10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | 38819-44-2

• 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: (3S,10R,13R,17R)-10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
• CAS: 38819-44-2；79200-13-8
• 化学式: C₂₆H₄₄O
• 分子量: 372.635
• InChiKey: VQSNHPSNPFDOJF-PUGDJPKKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

文献信息

• NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF
  申请人：Upasani Ravindra B.

  公开号：US20150158903A1

  公开（公告）日：2015-06-11

  Compounds are provided according to Formula (I) and pharmaceutically acceptable salts thereof, wherein Z is a group of the formula (i), (ii), (iii), (iv), or (v), and wherein L 1 , L 2 , L 3 , X 1 , X 2 , Y, R z4 , R z5 , R z6 , n, R 1 , R 2 , R 3a , R 3b , R 4a , R 4b , R 6a , R 6b , R 7a , R 7b , R 11a , R 11b , R 14 , R 17 , R 19 , R 20 , R 23a , R 23b , and R 24 are as defined herein, and pharmaceutical compositions thereof. Compounds of the present invention are contemplated useful for the prevention and treatment of a variety of CNS-related conditions in mammals.