shikonofuran C | 85022-64-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: shikonofuran C
• 英文别名: [1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] 3-methylbutanoate
• CAS: 85022-64-6
• 化学式: C₂₁H₂₆O₅
• 分子量: 358.434
• InChiKey: RQSVDMLEQSPRMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  79.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 shikonofuran C 以 吡啶 为溶剂， 以5 mg的产率得到shikonofuran C diacetate
  参考文献：
  名称：

  Studies on shikon. III. New furylhydroquinone derivatives, shikonofurans A, B, C, D and E, from Lithospermum erythrorhizon sieb. et zucc.

  摘要：

  Five new furylhydroquinone derivatives, named shikonofurans A, B, C, D and E, were found in the root of Lithospermum erythrorhizon SIEB. et ZUCC. (Boraginaceae). Shikonofuran A was proved to have the structure I, shown in Chart 1, by direct comparison of the spectral data of its diacetate with those of echinofuran leucoacetate. The structures of the other compounds were established on the basis of spectral and chemical evidence as II, III, IV and V, shown in Chart 1.

  DOI：

  10.1248/cpb.30.4407