Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)

organic compounds

lh5603 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.

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