Calculation and comparative analysis of ir spectra of a number of brassinolides with different structure of their side chain

Abstract

To establish spectro-structural correlations of practically important biologically active steroid phytohormones, namely, molecules (22S,23S)-24-epibrassinolide, (22S,23S)-28-homobrassinolide and homobrassinolide, a comparative analysis of experimental IR spectra and theoretical spectral absorption curves of these molecules with similar chemical structure has been done. This made it possible to evaluate the influence of structural features within the side chain of the studied molecules on the formation of IR spectra and to establish a connection between their structural differences and the observed changes in IR spectra in the range of 1500–950 cm^–1 .