(3S,5S)-3,5-di(4-bromobenzoyloxy)-1,7-bis(3,4,5-trimethoxyphenyl)heptane | 1347742-65-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (3S,5S)-3,5-di(4-bromobenzoyloxy)-1,7-bis(3,4,5-trimethoxyphenyl)heptane
• CAS: 1347742-65-7
• 化学式: C₃₉H₄₂Br₂O₁₀
• 分子量: 830.564
• InChiKey: HCMAXMCYOJSNGB-CONSDPRKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.67
• 重原子数：
  51.0
• 可旋转键数：
  18.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  107.98
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  (3S,5S)-3,5-dihydroxy-1,7-bis(3,4,5-trimethoxyphenyl)heptane 、 4-溴苯甲酰氯 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以64%的产率得到(3S,5S)-3,5-di(4-bromobenzoyloxy)-1,7-bis(3,4,5-trimethoxyphenyl)heptane
  参考文献：
  名称：

  A new diarylheptanoid from the rhizomes of Zingiber mekongense

  摘要：

  A new diarylheptanoid, (3S,5S)-3,5-diacetoxy-1,7-bis(3,4,5-trimethoxyphenyl)heptane (1), together with the known docosyl trans-ferulate (2), (1S,2S,4S)-p-menthan-1,2,4-triol (3), 5 alpha H-eudesmane-4 alpha,11-diol (4), 5 alpha H-eudesmane-4 beta,11-diol (5), 4 alpha, 10 beta-dihydroxy-1 beta H,5 alpha H-guaia-6-ene (guaianediol) (6), (+)-galanolactone (7), (E)-labda-8(17),12(13)-dien-15,16-olide (8), labda-8(17),13(14)-dien-15,16-olide (9), 3,5-dihydroxy-7,4'-dimethoxyflavone (10) and 3,5,3'-trihydroxy-7.4'-dimethoxyflavone (11) were isolated from the rhizomes of Zingiber mekongense. Their structures were determined by spectroscopic methods. The stereochemistry of 1 was proved through chemical conversion. Compounds 1,4-7 and 9-11 exhibited anti-HIV-1 activities in the anti-syncytium assay using (Delta Tat/rev)MC99 virus and 1A2 cell line system, while only compounds 7 and 11 were found active in the HIV-1 reverse transcriptase assay. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.fitote.2011.01.002