title: Synthesis and structure elucidation of a series of pyranochromene chalcones and flavanones using 1D and 2D NMR spectroscopy and X-ray crystallography.
abstract: A series of novel pyranochromene chalcones and corresponding flavanones were synthesized. This is the first report on the confirmation of the absolute configuration of chromene-based flavanones using X-ray crystallography. These compounds were characterized by 2D NMR spectroscopy, and their assignments are reported herein. The 3D structure of the chalcone 3b and flavanone 4g was determined by X-ray crystallography, and the structure of the flavanone was confirmed to be in the S configuration at C-2.
authors.affiliation: School of Chemistry and Physics, University of KwaZulu-Natal, Private Bag X54001, Durban, 4000, South Africa.
authors.forename: Sunayna S
authors.initials: SS
authors.lastname: Pawar
authors.forename: Neil A
authors.initials: NA
authors.lastname: Koorbanally
mesh_terms: D000465:Algorithms; D001578:Benzopyrans / Q000032:analysis / Q000138:chemical synthesis*; D001665:Binding Sites; D047188:Chalcones / Q000032:analysis / Q000138:chemical synthesis*; D018360:Crystallography, X-Ray / Q000379:methods*; D044950:Flavanones / Q000032:analysis / Q000138:chemical synthesis*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008968:Molecular Conformation
chemical_list: D001578:Benzopyrans; D047188:Chalcones; D044950:Flavanones
keywords: 13C; 1H; NMR; X-ray crystallography; chalcones; flavanones; pyranochromene