Methyl 12-bromo-dehydro-abietate

Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 28;66(Pt 5):o1207. doi: 10.1107/S1600536810012201.

Abstract

THE TITLE COMPOUND [SYSTEMATIC NAME: (1R)-methyl 6-bromo-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octa-hydro-phen-anthrene-1-carboxyl-ate], C(21)H(29)BrO(2), was synthesized from N-bromo-succinimide and methyl dehydro-abietate, which was prepared through an esterification reaction using dehydro-abietic acid and methanol as raw materials. The three six-membered rings adopt planar (mean deviation = 0.002 Å) half-chair and chair conformations. The two cyclo-hexane rings form a trans ring junction with the two methyl groups in axial positions. The crystal structure is stabilized by weak inter-molecular C-H⋯O contacts along the b axis.