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Mwadham M. Kabanda and Liliana Mammino The conformational preferences of acylphloroglucinols—a promising class of biologically active compounds International Journal of Quantum Chemistry 112

Article first published online: 23 FEB 2012 | DOI: 10.1002/qua.24012

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The conformational preferences of acylphloroglucinols have been investigated on 118 different molecular structures, selected to represent the more common structural features of the whole class of compounds, as well as features characterizing some relevant subsets. Calculations considered four media: vacuum, chloroform, acetonitrile, and water. The identified patterns provide guidelines for realistic predictions of the conformational preferences of other acylphloroglucinol molecules.

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