Acetic acid 5-acetoxy-4-oxo-2-phenethyl-4H-chromen-8-yl ester | 117596-95-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: Acetic acid 5-acetoxy-4-oxo-2-phenethyl-4H-chromen-8-yl ester
• 英文别名: [8-acetyloxy-4-oxo-2-(2-phenylethyl)chromen-5-yl] acetate
• CAS: 117596-95-9
• 化学式: C₂₁H₁₈O₆
• 分子量: 366.37
• InChiKey: LQGOVRHCCFMZOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5,8-二羟基-2-(2-苯乙基)色酮 生成 Acetic acid 5-acetoxy-4-oxo-2-phenethyl-4H-chromen-8-yl ester
  参考文献：
  名称：

  IWAGOE, KIYOSHI;KONISHI, TENJI;KIYOSAWA, SHIU;SHIMADA, YASUO;MIYAHARA, KA+, CHEM. AND PHARM. BULL., 36,(1988) N 7, C. 2417-2422

  摘要：

  DOI：

文献信息

• Studies on the agalwood (jinko). VII. Structures of phenylethylchromone derivatives AH7, AH8 and AH9.
  作者：KIYOSHI IWAGOE、TENJI KONISHI、SHIU KIYOSAWA、YASUO SHIMADA、KAZUMOTO MIYAHARA、TOSHIO KAWASAKI

  DOI：10.1248/cpb.36.2417

  日期：——

  Three new phenylethylchromone derivatives, tentatively named AH7, AH8 and AH9, were isolated from acetone and pyridine extracts of agalwood (jinko) from Kalimantan. AH7 from the pyridine extract was characterized as 5, 8-dihydroxy-2-(2-phenylethyl)chromone, and AH8 from the acetone extract was elucidated to be 6, 7-dimethoxy-2-[2-(4-methoxyphenyl)chromone. AH9, acetylated in order to separate it from the mixture, was concluded to be (5S, 6S, 7R)-5a', 6a, 7a-triacetoxy-2-[2-(2-acetoxyphenyl)ethyl]-5, 6, 7, 8, 8-pentahydrochromone on the basis of the proton nuclear magnetic resonance (1H-NMR) spectrum, dihedral angle and circular dichroism (CD) spectral data.