Acetic acid (S)-2-acetoxy-3,8-dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalen-1-yl ester | 135594-85-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: Acetic acid (S)-2-acetoxy-3,8-dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalen-1-yl ester
• 英文别名: [(8S)-1-acetyloxy-3,8-dimethyl-5-oxo-7,8-dihydro-6H-naphthalen-2-yl] acetate
• CAS: 135594-85-3
• 化学式: C₁₆H₁₈O₅
• 分子量: 290.316
• InChiKey: JJWJXMLQJNHFJK-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  Acetic acid (S)-2-acetoxy-5-isopropenyl-3,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-1-yl ester 在 chromium(VI) oxide 作用下， 以 氯仿 、 水 、 溶剂黄146 为溶剂， 反应 2.0h， 以0.219 g的产率得到Acetic acid (S)-2-acetoxy-3,8-dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalen-1-yl ester
  参考文献：
  名称：

  Potential anti-infective o-catechol derivatives isolated from Guardiola platyphylla

  摘要：

  eight potential anti-infective agents were isolated from Guardiola platyphylla. Two of these catechols obtained as a mixture were identified as (1S,4S)-7,8-dihydroxy-11,12-dehydrocalamenene and (1S,4R)-7,8-dihydroxy-11,12-dehydrocalamenene, active in vitro against Staphylococcus aureus, Bacillus subtilis, Klebsiella pneumoniae and Candida albicans at 100-mu-g ml-1. Fractions containing dimeric catechols exhibited the same activity. Due to their instability, the latter were isolated as their acetates. (1S,4S)-7,8-dihydroxy-11,12-dehydrocalamenene and (1S,4R)-7,8-dihydroxy-11,12-dehydrocalamenene were converted into dimers via oxidation to omicron-quinones and warming at 60-degrees.

  DOI：

  10.1016/0031-9422(91)83609-o

文献信息

• WAHYUONO, SUBAGUS;HOFFMANN, JOSEPH J.;BATES, ROBERT B.;MCLAUGHLIN, STEVEN+, PHYTOCHEMISTRY, 30,(1991) N, C. 2175-2182
  作者：WAHYUONO, SUBAGUS、HOFFMANN, JOSEPH J.、BATES, ROBERT B.、MCLAUGHLIN, STEVEN+

  DOI：——

  日期：——