Intramolecular hydrogen bonding and structure of stereoisomeric 20(22)-hydroxy-22(23)-isoxazolinyl steroids |
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Authors: | N I Garbuz Yu A Sokolov L P Solovei R P Litvinovskaya S V Drach A V Baranovskii V A Khripach |
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Institution: | (1) Institute of Bioorganic Chemistry, National Academy of Sciences of Belarus, 5/2 ul. Kuprevicha, Minsk, 220141, Belarus |
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Abstract: | We have used IR spectroscopy and the quantum chemical AM1 method to study stereoisomeric 22(23)-isoxazolinyl steroids with
a hydroxyl group at C20 or C22, in order to establish the spectral features that will allow us to identify their stereoisomers. We have carried out a conformational
analysis of isoxazolinyl steroid stereoisomers, and we have calculated the populations of their stable conformers. We have
assigned the bands in the IR spectra of the stereoisomers in the region of the stretching vibrations of OH groups, and have
analyzed the possibility of intramolecular hydrogen bond formation between the OH groups and proton-acceptor centers of the
isoxazoline ring.
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Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 73, No. 2, pp. 145–151, March–April, 2006. |
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Keywords: | OH stretching vibrations isoxazolinyl steroids stereoisomers conformers of stereoisomers intramolecular hydrogen bond |
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