CRYSTAL-STRUCTURE OF ROSMANOL-9-ETHYLETHER

The title compound: 2H-10,4a-(epoxy-methano)-phenantren-12-one-1,3,4,9,10,10a-hexahydro-5,6-dihydroxy-9-alpha-etoxy-1,1-dimethyl-7-(1-methylethyl), was isolated from Salvia officinalis L. and Hyssopus officinalis L. C22H30O5, orthorhombic, P2(1)2(1)2(1), (No. 19) a = 8.309(1), b = 11.320(2), c = 22.060(3) angstrom, V = 2075.0(9) angstrom 3, Z = 4, D(x) = 1.199 g . cm-3, lambda(Cu K-alpha) = 1.54184 angstrom, mu = 6.43 cm-1, F(000) = 808, T = 296(1) K. The structure was solved by direct methods and refined to R = 0.047 for 1824 observed reflections collected on a CAD-4 diffractometer. In the course of structure refinement conformational disorder of the isopropyl moiety and the terminal methyl group pertaining to the ethoxy ligand was established. They result altogether in four different conformers.