β-cyclolavandulyl acetate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: β-cyclolavandulyl acetate
• 英文别名: beta-Cyclolavandulyl acetate；(2,4,4-trimethylcyclohexen-1-yl)methyl acetate
• 化学式: C₁₂H₂₀O₂
• 分子量: 196.29
• InChiKey: PJBZKRBNXOKTOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (2,4,4-三甲基环己烯-1-基)甲醇 、 乙酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以78%的产率得到β-cyclolavandulyl acetate
  参考文献：
  名称：

  β-Cyclolavandulyl and β-isocyclolavandulyl esters from Peucedanum paniculatum L., an endemic species to Corsica

  摘要：

  Eight cyclolavandulyl esters (beta-cyclolavandulyl and beta-isocyclolavandulyl acetate, propionate, isobutyrate, isovalerate) were identified in the leaf and root oils of Peucedanum paniculatum L., an endemic species to Corsica, by comparison of their spectroscopic data with those of synthetic material. Their structures were elucidated by spectroscopic methods. The antimicrobial activity of essential oils of leaves and roots was evaluated against eleven microorganisms. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2005.07.001

文献信息

• β-Cyclolavandulyl and β-isocyclolavandulyl esters from Peucedanum paniculatum L., an endemic species to Corsica
  作者：Muriel Vellutini、Nicolas Baldovini、Dominique de Rocca Serra、Félix Tomi、Joseph Casanova

  DOI：10.1016/j.phytochem.2005.07.001

  日期：2005.8

  Eight cyclolavandulyl esters (beta-cyclolavandulyl and beta-isocyclolavandulyl acetate, propionate, isobutyrate, isovalerate) were identified in the leaf and root oils of Peucedanum paniculatum L., an endemic species to Corsica, by comparison of their spectroscopic data with those of synthetic material. Their structures were elucidated by spectroscopic methods. The antimicrobial activity of essential oils of leaves and roots was evaluated against eleven microorganisms. (c) 2005 Elsevier Ltd. All rights reserved.