NMR spectroscopy, X-ray crystallographic, and molecular modeling studies on a new pyranone from Haloxylon salicornicum.

A new pyranone, 5-hydroxy-3-methoxy-4H-pyran-4-one (1), was isolated from the aerial parts of the desert shrub Haloxylon salicornicum. The structure was elucidated by X-ray structural analysis, NMR spectroscopy, and mass spectrometry. The monoacetate was also prepared, and molecular modeling studies and full NMR data were recorded.