Natural Products

NMR is an essential analytical technique in natural products chemistry. Neither the elucidation of complex structures nor the total synthesis of natural product molecules can be completed without NMR data. A typical issue of the Journal of Natural Products will feature NMR data in the majority of its articles.  NMR has also been applied to metabolomic studies of extracts containing natural products. As a primary ratio method of quantification, NMR can also directly be used to obtain amounts of compounds in mixtures and extracts. 

Continuous advancement in Bruker’s NMR technology allows researchers to push the boundaries of these applications in natural product research. By combining state-of-the-art hardware developments such as improvements in probe design and receivers for the highest NMR sensitivity, to comprehensive software packages, Bruker provides the perfect complement of tools for optimizing your productivity and making new discoveries.

Probe technology:

The introduction of conventional and cryogenically cooled probes for small sample volumes has significantly increased the mass sensitivity of NMR. Among these the 1.7 mm MicroCryoProbe™ delivers unmatched sensitivity for small sample quantities 1) . Low microgram quantities can now be sufficient for structure elucidation and even lower amounts can be used for dereplication. 

The dedicated carbon and proton Dual CryoProbe allows the collection of carbon 1D spectra of sample amounts in the mid-microgram range and even the elusive INADEQUATE experiment is now within reach.  


All common experiments used for structure elucidation are part of the extensive TopSpin library of NMR experiments. From the basic set of 1D and 2D experiments such as HSQC and HMBC, more advanced experiments for the determination of coupling constants are also included. With the sensitivity of modern probes, correlation experiments that include nitrogen can easily be included for compounds such as alkaloids, peptides or other nitrogen containing materials. The resulting data can be used to elucidate the structure with CMCse.

Recent advances in NMR methodology include RDC (residual dipolar couplings) and RCSA (residual chemical shift anisotropy). The data can easily be acquired and analyzed with MNova Stereofitter.

Automation allows the unattended data acquisition of large series of samples collected from extracts or from various preparative scale separation methods. 

Relevant Products

Ascend 400

NMR 장비

NMR는 정보를 풍부하게 얻을 수 있는 비파괴적 분석 기술입니다. 분자 구조, 동적 과정에 대한 상세한 정보를 제공하여 화학 반응을 직접적으로 관찰할 수 있습니다.

EPR 장비

Bruker's high-performance portfolio of EPR instruments offers a non-destructive analytical technique for the direct detection of paramagnetic species. Free radicals and transition metal ions can be identified and quantified in solids, liquids, gases, cells, and in vivo. Structural insights from the chemical structure to intermolecular interactions are obtained from both CW and Pulse EPR techniques.
Avance Neo Console


The AVANCE NEO consoles for NMR feature even faster control, improved dynamic range and greater flexibility and scalability than ever before.
TXO CryoProbe

TCI MicroCryoProbe

Proton-optimized triple resonance NMR ‘inverse’ probe, featuring four fully independent channels (plus lock channel) for simultaneous decoupling of multiple nuclei such as 13C and 15N.

Double Resonance Probes

The Bruker Dual Probes offer an ideal combination of outstanding sensitivity, lineshape, and pulse widths.


Bruker’s TopSpin™ software package for NMR data analysis and the acquisition and processing of NMR spectra.
Structure Elucidation with CMC-se

Structure Elucidation | CMC-se

Structure Elucidation of small organic molecules is a key competence of NMR. In this video, we present Bruker’s Structure Elucidation suite “CMC-se”.

Recent Publications

Computer-Assisted 3D Structure Elucidation of Natural Products using Residual Dipolar Couplings

Eduardo Troche-Pesqueira, Clemens Anklin, Roberto R. Gil, and Armando Navarro-Vazquez

Angew. Chem. Int. Ed. (2017) 

New Mandelalides Expand a Macrolide Series of Mitochondrial Inhibitors

Mohamad Nazari, Jeffrey D. Serrill, Xuemei Wan, Minh H. Nguyen, Clemens Anklin, David A. Gallegos , Amos B. Smith , Jane E. Ishmael, and Kerry L. McPhail*
J. Med. Chem., 2017, 60,18, 7850–7862

Transferring Fungi to a Deuterium-Enriched Medium Results in Assorted, Conditional Changes in Secondary Metabolite Production

Bin Wang , Elizabeth M. Park , Jarrod B. King , Allison O. Mattes , Susan L. Nimmo , Chaevien Clendinen , Arthur S. Edison , Clemens Anklin , and Robert H. Cichewicz *
J. Nat. Prod. 2015, 78(6), 1415-1421

Structure and absolute configuration of karlotoxin-2, an ichthyotoxin from the marine dinoflagellate Karlodinium veneficum.

Peng Jiangnan; Place Allen R; Yoshida Wesley; Anklin Clemens; Hamann Mark T
J. Amer. Chem. Soc. 2010;132(10):3277-9.


Modern NMR Approaches to the Structure Elucidation of Natural Products: Volume 1: Instrumentation and Software Editors: Antony Williams, Gary Martin, David Rovnyak

Modern NMR Approaches to the Structure Elucidation of Natural Products: Volume 2: Data Acquisition and Applications to Compound Classes Editors: Antony Williams, Gary Martin, David Rovnyak

Fundamentals, Applications and Strategies
2017, Pages 567-596
Chapter 29 - Natural Product Structure Elucidation by NMR Spectroscopy

NMR in natural products: understanding conformation, configuration and receptor interactions
Teresa Carlomagno