title: NMR spectroscopy, X-ray crystallographic, and molecular modeling studies on a new pyranone from Haloxylon salicornicum.
abstract: 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.
authors.affiliation: Centre for Pharmacognosy and Phytotherapy, The School of Pharmacy, University of London, 29-39 Brunswick Square, London WC1N 1AX, UK. sgibbons@cua.ulsop.ac.uk
authors.forename: S
authors.initials: S
authors.lastname: Gibbons
authors.forename: B J
authors.initials: BJ
authors.lastname: Denny
authors.forename: S
authors.initials: S
authors.lastname: Ali-Amine
authors.forename: K T
authors.initials: KT
authors.lastname: Mathew
authors.forename: B W
authors.initials: BW
authors.lastname: Skelton
authors.forename: A H
authors.initials: AH
authors.lastname: White
authors.forename: A I
authors.initials: AI
authors.lastname: Gray
mesh_terms: D000818:Animals; D019663:Chenopodiaceae / Q000737:chemistry*; D018360:Crystallography, X-Ray; D003889:Desert Climate; D004987:Ethers / Q000737:chemistry*; D007313:Insecta; D007730:Kuwait; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D011753:Pyrones / Q000737:chemistry*; D012724:Sex Attractants / Q000737:chemistry
chemical_list: C412850:5-hydroxy-3-methoxy-4H-pyran-4-one; D004987:Ethers; D011753:Pyrones; D012724:Sex Attractants; C412851:rubiginol