Unequivocal structure confirmation of a breitfussin analog by anisotropic NMR measurements

Author:

Ndukwe Ikenna E.1234ORCID,Lam Yu-hong5674ORCID,Pandey Sunil K.891011,Haug Bengt E.891011ORCID,Bayer Annette12131411ORCID,Sherer Edward C.1234,Blinov Kirill A.151617ORCID,Williamson R. Thomas1234ORCID,Isaksson Johan12131411ORCID,Reibarkh Mikhail1234,Liu Yizhou1234ORCID,Martin Gary E.1234ORCID

Affiliation:

1. Analytical Research & Development, (Rahway)

2. Merck & Co. Inc.

3. Kenilworth

4. USA

5. Computational and Structural Chemistry

6. Merck & Co., Inc.

7. Rahway

8. Department of Chemistry and Centre for Pharmacy

9. University of Bergen

10. NO-5020 Bergen

11. Norway

12. Department of Chemistry

13. UiT the Arctic University of Tromsø

14. NO-9037 Tromsø

15. MestReLab Research S. L.

16. A Coruna

17. Spain

Abstract

Structural features of proton-deficient heteroaromatic natural products, such as the breitfussins, can severely complicate their characterization by NMR spectroscopy.

Funder

Norges Forskningsråd

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Reference52 articles.

1. A Combined Atomic Force Microscopy and Computational Approach for the Structural Elucidation of Breitfussin A and B: Highly Modified Halogenated Dipeptides fromThuiaria breitfussi

2. Organic structure determination using atomic-resolution scanning probe microscopy

3. K. R. Gustafson , S. T. S.Chan and Y.Liu , in Modern NMR Approaches to the Structure Elucidation of Natural Products: Volume 2: Data Acquisition and Applications to Compound Classes , The Royal Society of Chemistry , 2017 , vol. 2 , pp. 39–70

4. R. R. Gil and A.Navarro-Vázquez , in Modern NMR Approaches to the Structure Elucidation of Natural Products: Volume 2: Data Acquisition and Applications to Compound Classes , The Royal Society of Chemistry , 2017 , vol. 2 , pp. 1–38

5. Synergistic Combination of CASE Algorithms and DFT Chemical Shift Predictions: A Powerful Approach for Structure Elucidation, Verification, and Revision

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