| Autor: |
Ecker, Gerhard, Kalchhauser, Hermann, Lawtrakul, Luckhana, Wolschann, Peter |
| Zdroj: |
Chemical Monthly / Monatshefte für Chemie; Mar2001, Vol. 132 Issue 3, p373-386, 14p |
| Abstrakt: |
The conformative behaviour of the potassium channel opener levcromakalim ((−)-cromakalim) was thoroughly investigated applying NMR spectroscopy in different solvents as well as ab initio and DFT calculations. One predominant conformation was found to prevail in solution. Chemical shift values (1H, 13C) obtained by the GIAO method employing high basis sets (B3LYP/6-311++G**) proved to be sensitive to conformational changes. Those correlating best with the measured data correspond to the structure as determined by 2D NMR spectroscopy. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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