physacoztolide A | 906456-71-1

• 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: physacoztolide A
• 英文别名: [(5R,6R,8S,9S,10R,13R,14S,17S)-17-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-5,6-dihydroxy-10-methyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-13-yl]methyl acetate
• CAS: 906456-71-1
• 化学式: C₃₀H₄₂O₈
• 分子量: 530.659
• InChiKey: HMGBZXCTALYZHS-CDIHKCCFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  130
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  physacoztolide A 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以26 mg的产率得到physacoztolide B
  参考文献：
  名称：

  Labdanes and Withanolides from Physalis coztomatl

  摘要：

  Aerial parts of Physalis coztomatl afforded a new labdane diterpene, physacoztomatin ( 1), and five new withanolides, physacoztolides A-E (5-9). Six known compounds were also isolated. The structures of the new compounds were established after analyses of their spectroscopic data and by means of chemical transformations. X-ray diffraction analyses of 15-dehydrophysacoztomatin ( 2) and 5 confirmed the structures of 1 and 5. Labd-13( E)-ene-8 alpha,15-diol ( 4) and physacoztomatin ( 1) represent the first labdane diterpenes isolated from the genus Physalis.

  DOI：

  10.1021/np0601354