[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o795-o796
[ doi:10.1107/S1600536813011008 ]

Lup-20(29)-en-28-ol-3-one (betulone)

S. Boryczka, E. Michalik, J. Kusz, M. Nowak and E. Chrobak

Abstract: The asymmetric unit of the title compound, C30H48O2, contains two independent molecules, the main difference between them being that the isopropenyl group is rotated by approximately 180°. In each molecule, the fused six-membered rings have chair-chair-chair-chair conformations and the cyclopentane ring adopts an envelope conformation with the C atom bearing the hydroxymethyl group as the flap. All ring junctions are trans-fused. With the exception of one of the methyl groups adjacent to the C=O group, all the methyl groups are in axial positions. The isopropenyl group is equatorial and the hydroxymethyl group is in an axial orientation. In the crystal, weak C-H...O interactions link the molecules into chains along [010]. Weak intramolecular C-H...O hydrogen bonds are also observed but the hydroxy groups are not involved in hydrogen bonds.


Copyright © International Union of Crystallography
IUCr Webmaster