The conformations of prostacyclin and related prostaglandins

Abstract
The conformations of prostacyclin, PGI2, and 3 of its analogs 6R- and 6S-PGI1 and carbacyclin, were studied by high field 1H NMR spectroscopy. The cis-bicyclo- and cis-oxabicyclo[3,3,0]octane ring conformations were completely assigned. The minima for the pseudorotational conformations are observed at 7E/12E for PGI2, .**GRAPHIC**. for 6R-PGI1 and 6E/11E for 6S-PGI1 and carbacyclin. Each molecule adopts a narrow pseudolibrational range, if not a single conformation. The .alpha.- and .omega.-side chain conformations were characterized, but not unambiguously. Vicinal coupling constants and nuclear Overhauser enhancements proved to be the most useful spectroscopic parameters.

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