2,2,2-trifluoroethyl (2S)-2-[3-[(4aR,5R,6R,8aR)-4a,6,9,9-tetramethyl-5-(2-oxopropyl)-5,7,8,8a-tetrahydro-4H-benzo[f][1,2]benzoxazol-6-yl]-3-methylbutyl]-2,5,5-trimethyloctanoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2,2,2-trifluoroethyl (2S)-2-[3-[(4aR,5R,6R,8aR)-4a,6,9,9-tetramethyl-5-(2-oxopropyl)-5,7,8,8a-tetrahydro-4H-benzo[f][1,2]benzoxazol-6-yl]-3-methylbutyl]-2,5,5-trimethyloctanoate
• 化学式: C₃₆H₅₈F₃NO₄
• 分子量: 625.8
• InChiKey: HQZSWCOIXBWLDB-HLAWFVHCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11
• 重原子数：
  44
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  69.4
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING
  申请人：REATA PHARMACEUTICALS, INC.

  公开号：US20140179928A1

  公开（公告）日：2014-06-26

  This invention provides, but is not limited to, novel oleanolic acid derivatives having the formula: wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such compounds, methods and intermediates useful for making the compounds, and methods of using the compounds and compositions.
• US9090574B2
  申请人：——

  公开号：US9090574B2

  公开（公告）日：2015-07-28