Solvent-Dependent Structures of Natural Products Based on the Combined Use of DFT Calculations and <sup>1</sup>H-NMR Chemical Shifts

Solvent-Dependent Structures of Natural Products Based on the Combined Use of DFT Calculations and <sup>1</sup>H-NMR Chemical Shifts

Detailed solvent and temperature effects on the experimental <sup>1</sup>H-NMR chemical shifts of the natural products chrysophanol (<b>1</b>), emodin (<b>2</b>), and physcion (<b>3</b>) are reported for the investigation of hydrogen bonding, solvation...

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Bibliographic Details
Main Authors: Saima H. Mari, Panayiotis C. Varras, Atia-tul-Wahab, Iqbal M. Choudhary, Michael G. Siskos, Ioannis P. Gerothanassis
Format: Article
Language:English
Published: MDPI AG 2019-06-01
Series:Molecules
Subjects:
chemical shifts
hydrogen bonding
DFT
natural products
NMR
X-ray diffraction
Online Access:https://www.mdpi.com/1420-3049/24/12/2290

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https://www.mdpi.com/1420-3049/24/12/2290

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