The conformational state of the [3.3.3]propellane framework for 14-hydroxymodhephene was determined by extensive application of one-and two-dimensional 1 H and 13 C NMR spectroscopy combined with x-ray diffraction studies of a synthesized derivative, spectral simulation and molecular modeling. The conformational rigidity of the molecule in solution, established at room temperature, revealed the existence of envelope conformers for both cyclopentane fragments, with C-7 puckered endo and C-10 exo with respect to the mean plane containing the B and C rings.
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