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Solvent-Dependent Structures of Natural Products Based on the Combined Use of DFT Calculations and (1)H-NMR Chemical Shifts

Detailed solvent and temperature effects on the experimental (1)H-NMR chemical shifts of the natural products chrysophanol (1), emodin (2), and physcion (3) are reported for the investigation of hydrogen bonding, solvation and conformation effects in solution. Very small chemical shift of │Δδ│ <...

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Bibliografiske detaljer
Udgivet i:Molecules
Main Authors: Mari, Saima H., Varras, Panayiotis C., Atia-tul-Wahab, Choudhary, Iqbal M., Siskos, Michael G., Gerothanassis, Ioannis P.
Format: Artigo
Sprog:Inglês
Udgivet: MDPI 2019
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6631582/
https://ncbi.nlm.nih.gov/pubmed/31226776
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules24122290
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