(3S,5S)-3,5-Diacetoxy-1,7-bis(3,4-dihydroxyphenyl)heptane | 138870-97-0

• 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: (3S,5S)-3,5-Diacetoxy-1,7-bis(3,4-dihydroxyphenyl)heptane
• 英文别名: 1,7-Bis(3,4-dihydroxyphenyl)heptane-3,5-diyl diacetate；[(3S,5S)-5-acetyloxy-1,7-bis(3,4-dihydroxyphenyl)heptan-3-yl] acetate
• CAS: 138870-97-0
• 化学式: C₂₃H₂₈O₈
• 分子量: 432.471
• InChiKey: BWSFBLYFHGZBRQ-OALUTQOASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  31
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  134
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 (3S,5S)-3,5-Diacetoxy-1,7-bis(3,4-dihydroxyphenyl)heptane 在 吡啶 作用下， 以6.3 mg的产率得到Acetic acid 2-acetoxy-5-[(3S,5S)-3,5-diacetoxy-7-(3,4-diacetoxy-phenyl)-heptyl]-phenyl ester
  参考文献：
  名称：

  Diarylheptanoids from rhizomes ofZingiber officinale

  摘要：

  Six new diarylheptanoids, 5-hydroxy-7-(4-hydroxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3-heptanone, 3,5-diacetoxy-7-(3,4-dihydroxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)heptane, 5-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3-heptanone, 5-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3-heptanone, (3R,5S)-3,5-dihydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane and (3S,5S)-3,5-diacetoxy-1,7-bis(3,4-dihydroxyphenyl)heptane were isolated from the rhizomes of Zingiber officinale, together with two known diarylheptanoids. Their structures were established by chemical and spectroscopic evidences.

  DOI：

  10.1016/0031-9422(91)80085-f