Structural discrimination in small molecules by accurate measurement of long-range proton-carbon NMR residual dipolar couplings
Angew Chem Int Ed Engl. 2011 Aug 8;50(33):7576-80.
doi: 10.1002/anie.201101739.
Epub 2011 Jul 12.
- PMID: 21751308
- PMCID: PMC3184250
- DOI: 10.1002/anie.201101739
Abstract
Accurate measurement of long-range CH residual dipolar couplings (RDCs) (2DCH and 3DCH) by a new selective J-scaled HSQC experiment significantly improves the structural discrimination power of RDCs in small molecules with multiple stereocenters. The extraction of the long-range couplings is clean and straightforward, and in most cases yields the sign of the RDC too. The experiment is demonstrated with 10-epi-8-deoxycumambrin B, a tricyclic natural compound with five chiral centers.
Publication types
- Research Support, N.I.H., Intramural
- Research Support, Non-U.S. Gov't
MeSH terms
- Carbon Isotopes
- Lactones / analysis*
- Magnetic Resonance Spectroscopy / standards
- Molecular Structure
- Protons
- Quantum Theory
- Reference Standards
Substances
- Carbon Isotopes
- Lactones
- Protons