Homodecoupled 1,1‐ and 1,n‐ADEQUATE: Pivotal NMR Experiments for the Structure Revision of Cryptospirolepine |
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| Authors: | Dr. Josep Saurí Dr. Wolfgang Bermel Dr. Alexei V. Buevich Dr. Edward C. Sherer Dr. Leo A. Joyce Dr. Maged H. M. Sharaf Prof. Dr. Paul L. Schiff Jr. Dr. Teodor Parella Dr. R. Thomas Williamson Dr. Gary E. Martin |
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| Affiliation: | 1. Process & Analytical Chemistry, Merck Research Laboratories, Mailstop: 800‐D133, 126 E. Scott Ave, Rahway, NJ 07065 (USA);2. Bruker Biospin GmbH, Silberstreifen, 76287 Rheinstetten (Germany);3. American Herbal Products Association, Silver Spring, MD 20910 (USA);4. Department of Pharmaceutical Sciences, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA 15261 (USA);5. Servei de Ressonància Magnètica Nuclear and Departament de Química, Universitat Autònoma de Barcelona, 08193 Bellaterra, Barcelona (Spain) |
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| Abstract: | ![]()
Cryptospirolepine is the most structurally complex alkaloid discovered and characterized thus far from any Cryptolepis specie. Characterization of several degradants of the original, sealed NMR sample a decade after the initial report called the validity of the originally proposed structure in question. We now report the development of improved, homodecoupled variants of the 1,1‐ and 1,n‐ADEQUATE (HD‐ADEQUATE) NMR experiments; utilization of these techniques was critical to successfully resolving long‐standing structural questions associated with crytospirolepine. |
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| Keywords: | cryptolepis alkaloids DFT calculations HD‐ADEQUATE homodecoupling NMR spectroscopy |
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