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DOI: 10.1055/a-2706-7473
NMR Chemical Shifts of Common Flavonoids
Authors
Supported by: Dr. Willmar Schwabe -
We thank Dr. Willmar Schwabe GmbH & Co. KG, Germany, for the funding of all authors.
Abstract
We present 1H and 13C nuclear magnetic resonance (NMR) chemical shifts for the most common flavonoids, a class of natural products widely present in the plant kingdom. Our data are acquired in three common NMR solvents: methanol d4, dimethyl sulfoxide d6, and pyridine d5 and may be used as a reference for isolated compounds, for detecting flavonoids within mixtures like plant extracts as shown in an example, as reference data for natural product databases, for refined training of prediction software, and for machine learning in resonance assignment and NMR-based structure elucidation. Solvent- and substitution-induced resonance shifts are discussed.
Supporting Information
- Supporting Information (PDF) (opens in new window)
The chemical shift data from [Tables 1] and [2] are available in MS Excel format in the Supporting Information. A comparison of our experimental data to the predicted data can also be found in the Supporting Information.
Raw spectral data (Bruker format) can be obtained from the corresponding author upon reasonable request.
Publication History
Received: 25 May 2025
Accepted after revision: 15 September 2025
Article published online:
29 October 2025
© 2025. The Author(s). This is an open access article published by Thieme under the terms of the Creative Commons Attribution-NonDerivative-NonCommercial License, permitting copying and reproduction so long as the original work is given appropriate credit. Contents may not be used for commecial purposes, or adapted, remixed, transformed or built upon. (https://creativecommons.org/licenses/by-nc-nd/4.0/)
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