紫草呋喃A | 85022-66-8

• 物质功能分类: 天然产物 - 酚类
• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 紫草呋喃A
• 英文名称: shikonofuran A
• 英文别名: [1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] acetate
• CAS: 85022-66-8
• 化学式: C₁₈H₂₀O₅
• 分子量: 316.354
• InChiKey: IMZVJDUASUPZQK-UHFFFAOYSA-N

物化性质

• 沸点：
  358.4±21.0 °C(Predicted)
• 密度：
  1.198±0.06 g/cm3 (20 ºC 760 Torr)
• 溶解度：
  溶于氯仿、二氯甲烷、乙酸乙酯、DMSO、丙酮等。

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  79.9
• 氢给体数：
  2
• 氢受体数：
  5

制备方法与用途

生物活性

Shikonofuran A 是从红花紫草（Lithospermum erythrorhizon）的根部提取的一种天然产物。

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 紫草呋喃A 在 sodium acetate 作用下， 反应 1.5h， 以44 mg的产率得到shikonofuran A 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

文献信息

• Studies on shikon. III. New furylhydroquinone derivatives, shikonofurans A, B, C, D and E, from Lithospermum erythrorhizon sieb. et zucc.
  作者：FUMIHIKO YOSHIZAKI、SHUJI HISAMICHI、YOSHIKAZU KONDO、YURIE SATO、SHIGEO NOZOE

  DOI：10.1248/cpb.30.4407

  日期：——

  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.