Dihedral angle study in Hesperidin using NMR Spectroscopy

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. The present work is to study computational dihedral angle in Hesperidin by using coupling constant. Stereochemistry confirmation is based on dihedral angle. Unpredicted substituted rutinose proton study in Hesperidin is identified by using NOE spectroscopy. To study Dihedral angle in Hesperidin, application of MestReJ v1.1 is used.