title: Dihedral angle study in Hesperidin using NMR Spectroscopy.
abstract: Hesperidin is flavonoid molecule found in citrus fruits (Citrus reticulata), especially difficult to extract, classify and characterize. Present work is to study the unresolved relative configuration of Hesperidin through the dihedral angle, coupling constant and different NMR techniques. The Karplus equation and its modifications have been originated from the valence bond theory and associated with dihedral angle and coupling constant. The result data set of calculated dihedral angle can probe significant method to assign the virtual configuration of natural products and also resolved stereochemistry of Hesperidin at C-2 position in. Copyright © 2016 John Wiley & Sons, Ltd.
authors.affiliation: Centre of Excellence, NFDD Complex, Department of Chemistry, Saurashtra University, University road, Rajkot, 360 005, Gujarat, India.
authors.forename: Yashwantsinh S
authors.initials: YS
authors.lastname: Jadeja
authors.affiliation: Centre of Excellence, NFDD Complex, Department of Chemistry, Saurashtra University, University road, Rajkot, 360 005, Gujarat, India.
authors.forename: Khushal M
authors.initials: KM
authors.lastname: Kapadiya
authors.affiliation: Centre of Excellence, NFDD Complex, Department of Chemistry, Saurashtra University, University road, Rajkot, 360 005, Gujarat, India.
authors.forename: Hetal J
authors.initials: HJ
authors.lastname: Jebaliya
authors.affiliation: Centre of Excellence, NFDD Complex, Department of Chemistry, Saurashtra University, University road, Rajkot, 360 005, Gujarat, India.
authors.forename: Anamik K
authors.initials: AK
authors.lastname: Shah
authors.affiliation: Centre of Excellence, NFDD Complex, Department of Chemistry, Saurashtra University, University road, Rajkot, 360 005, Gujarat, India.
authors.forename: Ranjan C
authors.initials: RC
authors.lastname: Khunt
mesh_terms: D002957:Citrus / Q000737:chemistry; D006569:Hesperidin / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D008968:Molecular Conformation; D010936:Plant Extracts / Q000737:chemistry*; D013237:Stereoisomerism; D013816:Thermodynamics
chemical_list: D010936:Plant Extracts; D006569:Hesperidin
keywords: 13C NMR; 1H NMR; 2D NMR; Coupling constant; Dihedral angle; Hesperidin; MestReJ v1.1