physordic acid | 1234384-12-3

• 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: physordic acid
• 英文别名: (2S,3S)-2-[(3S,4S,5S,9R,10S,13R,14R,17R)-3-acetyloxy-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-6-methyl-5-methylideneheptanoic acid
• CAS: 1234384-12-3
• 化学式: C₃₁H₄₈O₅
• 分子量: 500.719
• InChiKey: YJMLVTXMUFPNTN-KEFZKFPISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 physordic acid 以 乙醚 为溶剂， 以3.3 mg的产率得到methyl (2S,3S)-2-[(3S,4S,5S,9R,10S,13R,14R,17R)-3-acetyloxy-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-6-methyl-5-methylideneheptanoate
  参考文献：
  名称：

  Labdanes and Sucrose Esters from Physalis sordida

  摘要：

  Eight new compounds, labdanes 2-4, honmergostane 10, and sucrose esters 12-15, were isolated from aerial parts of Physalis sordida together with several known compounds. Structures of the new compounds were elucidated using spectroscopic evidence and chemical transformations. The structure of 10 was confirmed by X-ray crystallographic analysis of its methyl ester. Anti-inflammatory activity of compounds 1, 2, 4, 5, and 12-15 was evaluated using the TPA-induced mouse ear edema test. Compounds 12 (IC(50) 0.26 mu mol/ear) and 15 (IC(50) 0.24 mu mol/ear) showed anti-inflammatory activity similar to that of indomethacin (IC(50) 0.24 mu mol/ear).

  DOI：

  10.1021/np100127k