inulavosin monomethyl ether | 111979-15-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: inulavosin monomethyl ether
• 英文别名: 2-(2-Methoxy-4-methyl-phenyl)-2,4,4,7-tetramethyl-chroman；2-(2-methoxy-4-methylphenyl)-2,4,4,7-tetramethyl-3H-chromene
• CAS: 111979-15-8
• 化学式: C₂₁H₂₆O₂
• 分子量: 310.436
• InChiKey: ZZJAVPGUEUQAJB-UHFFFAOYSA-N

物化性质

• 熔点：
  99-104 °C
• 沸点：
  158-167 °C(Press: 0.02 Torr)
• 密度：
  1.018±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  重氮甲烷 、 2'-羟基-2,4,4,7,4'-五甲基黄烷 生成 inulavosin monomethyl ether
  参考文献：
  名称：

  Inulavosin, a New Thymol Dimer with Piscicidal Activity from Inula nervosa

  摘要：

  Upon the fractionation guided by piscicidal activity using the Medaka (Oryzias latipes), three piscicidal substances were isolated from the root of Inula nervosa, and were characterized as thymol and its derivatives based on the spectral analyses including 2D nmr techniques. A new piscicide, named inulavosin, was a thymol dimer with a new heterocyclic skeleton.

  DOI：

  10.3987/com-95-7148

文献信息

• Benbow; Wood, Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences, 1957, vol. 243, p. 518,530, 533
  作者：Benbow、Wood

  DOI：——

  日期：——
• Inulavosin, a New Thymol Dimer with Piscicidal Activity from Inula nervosa
  作者：Takashi Yoshida、Kazuko Mori、Guangxin He

  DOI：10.3987/com-95-7148

  日期：——

  Upon the fractionation guided by piscicidal activity using the Medaka (Oryzias latipes), three piscicidal substances were isolated from the root of Inula nervosa, and were characterized as thymol and its derivatives based on the spectral analyses including 2D nmr techniques. A new piscicide, named inulavosin, was a thymol dimer with a new heterocyclic skeleton.