Abstract
Abstract The bicyclic carboxylic acid, C17H22O5, a potential intermediate in the synthesis of bioactive δ-cuparenol has been prepared and characterized by spectroscopic and X-ray studies. The structure derived from the NMR data, the infrared spectra and the chemical analysis is consistent with that of single crystal X-ray analysis. The molecules in the title compound are linked into a three dimensional framework by O—H…O and C—H…O intermolecular hydrogen bonds. The supramolecular assembly of molecules exhibits R4 4(23) rings. The conformational analysis of the molecule as investigated by the semi-empirical quantum mechanical AM1 calculations shows a good agreement with the X-ray structure.
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