| 1449336-35-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子
• CAS: 1449336-35-9
• 化学式: C₃₅H₄₁F₃O₆
• 分子量: 614.702
• InChiKey: DZTDLFIHBPSEKI-KZTOUZKMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.28
• 重原子数：
  44.0
• 可旋转键数：
  7.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  71.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  spirooliganone B 、 (R)-methoxytrifluoromethylphenylacetyl chloride 以 氘代吡啶 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Antiviral Spirooliganones A and B with Unprecedented Skeletons from the Roots of Illicium oligandrum

  摘要：

  Two novel spirooliganones A (1) and (2), a pair of Spiro carbon epimers, with a rare dioxaspiro skeleton were isolated from the roots of illicium oligandrum. The structures were fully determined by spectroscopic analysis and chemical methods, especially modified Mosher's method, and X-ray diffraction analysis. Spirooliganone B was found to exhibit more potent activities against coxsackie virus B3 and influenza virus A (H3N2) (IC50 3.70-5.05 mu M) than spirooliganone A. The biosynthetic pathway involving a hetero-Diels-Alder reaction of the epimers was proposed.

  DOI：

  10.1021/ol401992s