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首页> 外文期刊>Journal of chemical crystallography >Crystal Structure Determination for Eugenyl Acetate
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Crystal Structure Determination for Eugenyl Acetate

机译：乙酸戊烯酯的晶体结构测定

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摘要

Essential oils are good candidates for the substitution of conventional medicinal treatments. Many articles and patents for their use have been published in recent years. The most attractive aspects of using essential oils as medicaments are their natural source and rapid permeability. Besides permeability, the solubility behavior of a drug is a key determinant of its oral bioavailability. Based on these characteristics, the aim of this study was to synthesize an essential oil derivative compound, using the raw oil extracted from Syzygium aromaticum L., without previous purification. The Eugenol molecular modification may diminish the problems of water solubility and bioavailability. The Eugenyl acetate molecule was characterized and its molecular modification investigated, including its structural properties and stereochemistry. This study was performed applying techniques, such as carbon-13 nuclear magnetic resonance spectroscopy (C-13 NMR), X-ray crystallographic analysis (XRD), powder X-ray diffraction (PXRD) and microscopic recording.
机译：精油是替代常规药物的良好候选者。近年来已经发表了许多文章和有关其使用的专利。使用精油作为药物最吸引人的方面是其天然来源和快速渗透性。除渗透性外，药物的溶解性行为是其口服生物利用度的关键决定因素。基于这些特征，本研究的目的是使用从香蒲中提取的粗油，无需事先纯化即可合成精油衍生物化合物。丁香酚分子修饰可以减少水溶性和生物利用度问题。表征了乙酸烯丁酯分子并研究了其分子修饰，包括其结构性质和立体化学。这项研究是应用诸如碳13核磁共振波谱（C-13 NMR），X射线晶体学分析（XRD），粉末X射线衍射（PXRD）和显微记录等技术进行的。

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