Analytical Sciences

Abstract − Analytical Sciences, 19(5), 801 (2003).

Crystal Structure of 1β-Hydroxy-β-homopipitzolone (9-Hydroxy-2,6,9-trimethyltricyclo[6,3,1,01,6]dodeca-5,10,11,12-tetraone)
Manuel SORIANO-GARCÍA,*  Ezequiel HUIPE-NAVA,** Virgilio Mendoza GONZÁLEZ,*** and Esther García GARIBAY***
*Instituto de Química, UNAM, Circuito Exterior, Ciudad Universitaria, Coyoacán 04510, México D. F.
**Instituto Tecnológico, Av. Tecnológico 1500, C. P. 58120, Morelia, Mich., México
***Instituto de Investigaciones Químico-Biológicas, U. M. S. N. H., Morelia Mich., México
C15H18O5 is orthorhombic, P212121. The unit-cell dimensions at 293 K are a = 6.526(3), b = 10.247(4), c =21.008(13)Å, V = 1404.8(12)Å3, Dx = 1.316 g/cm3, and Z = 4. The R value is 0.044 for 1288 observed reflections. The A, B and C rings adopt chair, twist, and half-chair conformations. The absolute configuration is inferred from the C6 stereochemistry of (+)-cedrol. The crystal structure is stabilized by an O-H···O hydrogen bond and van der Waals forces.