Finding the right chiroptical tool to reliably assign the stereochemistry of bioactive compounds is a hot topic in spectroscopy, attracting a broad and growing interest of the Organic Analytical and Medical Chemistry Society. Since these molecules' three-dimensional (3D) structure directly governs their biological properties, the absolute configuration (AC) must be established with the highest possible degree of certainty. Such a reliable AC assignment is achieved using one or a combination of two or more suitable techniques selected from a range of chiroptical methods. Due to the undeniable benefits of using chiroptical methods to determine the structure of bioactive compounds effectively, we will highlight key issues related to selecting the appropriate technique(s) and the state-of-the-art level of their application based on a diverse pool of bioactive compounds. Our review will strengthen the holistic approach to chiroptical methods and enhance their correct use for a wide range of chiral compounds.

寻找合适的手性光学工具来可靠地分配生物活性化合物的立体化学是光谱学中的一个热门话题，吸引了有机分析和医学化学学会广泛且日益增长的兴趣。由于这些分子的三维 (3D) 结构直接控制其生物学特性，因此必须以尽可能高的确定性建立绝对构型 (AC)。这种可靠的 AC 分配是使用一种或两种或多种从一系列手性光学方法中选择的合适技术的组合来实现的。由于使用手光学方法有效确定生物活性化合物的结构具有不可否认的好处，我们将强调与选择合适的技术相关的关键问题，以及基于各种生物活性化合物的应用的最新水平。我们的审查将加强手性方法的整体方法，并提高其对各种手性化合物的正确使用。