Calomelanol B | 137319-45-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: Calomelanol B
• 英文别名: 5,7-dihydroxy-8-[3-(4-hydroxyphenyl)propanoyl]-4-phenyl-3,4-dihydrochromen-2-one
• CAS: 137319-45-0
• 化学式: C₂₄H₂₀O₆
• 分子量: 404.419
• InChiKey: HGMBLMAQBAQIBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5,7-Dihydroxy-8-(p-coumaroyl)-dihydroneoflavone 在 palladium on activated charcoal 氢气 作用下， 以 乙酸乙酯 为溶剂， 反应 4.0h， 以10 mg的产率得到Calomelanol B
  参考文献：
  名称：

  Complex flavonoids in farinose exudate from Pityrogramma calomelanos

  摘要：

  From the farinose exudate of Pityrogramma calomelanos, three new complex flavonoids named calomelanols A-C were isolated in addition to two known dihydrochalcones. The structures were characterized as 8[3-(4-methoxyphenylpropionyl)]-5,7-dihydroxydihdroneoflavone for calomelanol A, 8-[3-(4-hydroxyphenylprionyl)]-5,7-dihydroxydihydroneoflavone for calomelanol B, and 8-(3-phenylpropionyl)-5,7,4'-trihydroxydihydroneoflavone for calomelanol C, respectively, by spectroscopic evidence. The C-13 NMR assignement and the mass spectral fragmentation of the complex flavonoids are also described.

  DOI：

  10.1016/s0031-9422(00)98259-1

文献信息

• Complex flavonoids in farinose exudate from Pityrogramma calomelanos
  作者：Fujio Asai、Munekazu Iinuma、Toshiyuki Tanaka、Mizuo Mizuno

  DOI：10.1016/s0031-9422(00)98259-1

  日期：1991.1

  From the farinose exudate of Pityrogramma calomelanos, three new complex flavonoids named calomelanols A-C were isolated in addition to two known dihydrochalcones. The structures were characterized as 8[3-(4-methoxyphenylpropionyl)]-5,7-dihydroxydihdroneoflavone for calomelanol A, 8-[3-(4-hydroxyphenylprionyl)]-5,7-dihydroxydihydroneoflavone for calomelanol B, and 8-(3-phenylpropionyl)-5,7,4'-trihydroxydihydroneoflavone for calomelanol C, respectively, by spectroscopic evidence. The C-13 NMR assignement and the mass spectral fragmentation of the complex flavonoids are also described.