LR-HSQMBC versus LR-selHSQMBC: Enhancing the Observation of Tiny Long-Range Heteronuclear NMR Correlations.

Journal of Natural Products
Alexandre A SouzaTeodor Parella

Abstract

The detection of ultra-long-range (4JCH and higher) heteronuclear connectivities can complement the conventional use of HMBC/HSQMBC data in structure elucidation NMR studies of proton-deficient natural products, where two-bond and three-bond correlations are usually observed. The performance of the selHSQMBC experiment with respect to its broadband HSQMBC counterpart is evaluated. Despite its frequency-selectivity nature, selHSQMBC efficiently prevents any unwanted signal phase and intensity modulations due to passive proton-proton coupling constants typically involved in HSQMBC. As a result, selHSQMBC offers a significant sensitivity enhancement and provides pure in-phase multiplets, improving the detection levels for short- and long-range cross-peaks corresponding to small heteronuclear coupling values. This is particularly relevant for experiments optimized to small nJCH values (2-3 Hz), referred to as LR-selHSQMBC, where key cross-peaks that are not visible in the equivalent broadband LR-HSQMBC spectrum can become observable in optimum conditions.

References

May 30, 2013·Organic & Biomolecular Chemistry·Josep SauríJuan F Espinosa
Dec 10, 2013·Journal of Magnetic Resonance·Laura CastañarTeodor Parella
Apr 9, 2014·The Journal of Organic Chemistry·R Thomas WilliamsonTeodor Parella
Feb 24, 2015·Journal of Magnetic Resonance·Josep SauríTeodor Parella
Oct 30, 2016·Journal of Natural Products·Lars AndernachTill Opatz
Dec 10, 2016·The Journal of Organic Chemistry·Susanna T S ChanKirk R Gustafson
Feb 7, 2017·Journal of Natural Products·Chung Sub KimKang Ro Lee
Jun 18, 2017·Journal of Natural Products·Nguyen Quoc TuanMinKyun Na
Jun 17, 2018·Magnetic Resonance in Chemistry : MRC·Peter Bigler, Julien Furrer
Dec 1, 2018·Magnetic Resonance in Chemistry : MRC·Peter Bigler, Julien Furrer
Aug 6, 2019·Magnetic Resonance in Chemistry : MRC·Trong D TranKirk R Gustafson
Jan 10, 2020·Magnetic Resonance in Chemistry : MRC·Alexei V Buevich, Mikhail E Elyashberg

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Citations

Jan 27, 2021·The Journal of Antibiotics·Zeinab Y Al SubehNicholas H Oberlies
Jan 8, 2021·Magnetic Resonance in Chemistry : MRC·Peter Bigler, Julien Furrer

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