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The structure of the opioid thebaine (6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan), C19H21NO3, has been determined by single-crystal X-ray diffraction techniques at low temperature. The thebaine molecule adopts the same T-shaped conformation of the five fused rings as found in closely related rigid opioids. The geometry of the double bond at the bridgehead carbon atom is significantly distorted from planarity.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks default, 1

CCDC reference: 128296

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