(2R,6R)-6-[(3S,7S,8S,9S,10R,13R,14S,17R)-3,7-dideuterio-3,7-dihydroxy-10,13-dimethyl-2,4,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid

• 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,6R)-6-[(3S,7S,8S,9S,10R,13R,14S,17R)-3,7-dideuterio-3,7-dihydroxy-10,13-dimethyl-2,4,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
• 化学式: C27H44O4
• 分子量: 434.6
• InChiKey: GYJSAWZGYQXRBS-VRCSXWLJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• DEUTERATED COMPOUNDS
  申请人：Swansea University

  公开号：US20160222052A1

  公开（公告）日：2016-08-04

  Compounds of general formula (I) wherein (I) R1-R4 are each independently selected from H and deuterium; and at least one of R1-R4 is deuterium. The compounds have been found to be particularly useful for treating neurodegenerative conditions and in particular but not exclusively conditions such as motor neurone disease.