NMR studies and X-ray crystallography of galdosol 5-methyl ether from Salvia officinalis L.

The title compound 2H-10,4a-(epoxy-methano)-phenantren-12-one-l,3,4,9,10,10a-hexahydro-6-hydroxy-5-methoxy-9-keto-1,1-dimethyl-7-(1-methylethyl) isolated fromSalvia officinalis L. have been investigated by nuclear magnetic resonance (NMR) spectroscopy and X-ray analysis. Investigation of1H and13C NMR, homonuclear (COSY) (1H-1H) and heteronuclear (1H-13C) spectra, permitted the unambiguous assignment of the1H and13C spectra, what gave the possibility to resolve the signals of similar natural products. Crystal data are: C21H26O5,Mr=358.43, orthorhombic,P21,21,21, (No. 19),a=10.671(2),b=11.976(3),c=14.601(5)A,V=1865.9(9)A3,Z=4,Dx=1.276 mg−3, λ(MoKα)=0.7107 A,μ=0.84 cm−1, F(000)=768,T=293(1) K. The structure was solved by direct methods and refined toR=0.041 for 1832 observed reflections collected on CAD-4 diffractometer.