Spectroscopic Identification of Stereoisomers of Brassinosteroids as a Rapid Method for Assessing Their Biological Activity

IF 0.7 4区化学 Q4 SPECTROSCOPY

Journal of Applied Spectroscopy Pub Date : 2026-09-07 DOI:10.1007/s10812-026-02156-4

M. V. Korolevich, V. M. Andrianov

引用次数: 0

Abstract

Based on a comparison of experimental and theoretical IR spectra of six brassinosteroids with different configurations of the (22,23)-diol group and the substituent at C-24, criteria are proposed for rapid discrimination between the (22R,23R)- and (22S,23S)-stereoisomers. These criteria are validated by a combined molecular mechanics and CNDO/2 calculation and are found suitable for express screening of synthesized compounds and checking their stereochemical purity without recourse to time-consuming techniques.

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油菜素内酯立体异构体的光谱鉴定及其生物活性的快速评价

通过对6种具有(22,23)-二羟基和C-24取代基不同构型的油菜素内酯的实验和理论红外光谱的比较，提出了快速区分(22R,23R)-和(22S,23S)-立体异构体的判据。这些标准通过结合分子力学和CNDO/2计算得到验证，并且适合于合成化合物的快速筛选和检查其立体化学纯度，而无需求助于耗时的技术。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Applied Spectroscopy SPECTROSCOPY-

CiteScore

1.30

自引率

14.30%

发文量

145

审稿时长

2.5 months

期刊介绍： Journal of Applied Spectroscopy reports on many key applications of spectroscopy in chemistry, physics, metallurgy, and biology. An increasing number of papers focus on the theory of lasers, as well as the tremendous potential for the practical applications of lasers in numerous fields and industries.