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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│ <...

詳細記述

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書誌詳細
出版年:Molecules
主要な著者: Mari, Saima H., Varras, Panayiotis C., Atia-tul-Wahab, Choudhary, Iqbal M., Siskos, Michael G., Gerothanassis, Ioannis P.
フォーマット: Artigo
言語:Inglês
出版事項: MDPI 2019
主題:
オンライン・アクセス: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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