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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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書目詳細資料
發表在:Molecules
Main Authors: Mari, Saima H., Varras, Panayiotis C., Atia-tul-Wahab, Choudhary, Iqbal M., Siskos, Michael G., Gerothanassis, Ioannis P.
格式: Artigo
語言:Inglês
出版: MDPI 2019
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在線閱讀: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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