(4aS,6aS,6bR,8aR,9R,12aR,12bR,14bS)-9-Formyl-2,2,6a,6b,9,12a-hexamethyl-10-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid methyl ester | 105730-95-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (4aS,6aS,6bR,8aR,9R,12aR,12bR,14bS)-9-Formyl-2,2,6a,6b,9,12a-hexamethyl-10-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid methyl ester
• 英文别名: methyl (4aS,6aR,6aS,6bR,8aR,9R,12aR,14bS)-9-formyl-2,2,6a,6b,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate
• CAS: 105730-95-8
• 化学式: C₃₁H₄₆O₄
• 分子量: 482.704
• InChiKey: GCOIFIFVUKCXCU-CYFLCHJQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  35
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• C4 Monomethyl Triterpenoid Derivatives and Methods of Use Thereof
  申请人：Anderson Eric

  公开号：US20120252776A1

  公开（公告）日：2012-10-04

  Disclosed herein are novel C4-monomethyl triterpenoid compounds and derivatives thereof, including those of 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, for example as antioxidant inflammation modulators, and compositions thereof are also provided.
• US9290536B2
  申请人：——

  公开号：US9290536B2

  公开（公告）日：2016-03-22