The stereochemistry of baishouwubenzophenone, a unique atropisomer from C. wilfordii

• The stereochemistry of Baishouwubenzophenone was investigated.
• The absolute configuration of Baishouwubenzophenone has been identified.
• Configurational assignment was further confirmed by the exciton chiral method.
• Baishouwubenzophenone molecule would to be potential as a ligand in asymmetric synthesis.

Baishouwubenzophenone (1), possessing a unique atropisomeric feature, has been isolated from the roots of Cynanchum wilfordii. The congested structure makes it showing optical activity and consequently the absolute configuration was identified by experimental CD and computational approaches. Configurational assignment was further confirmed by exciton chirality method. The structural features in baishouwubenzophenone molecule allow it to be a potential atropisomeric ligand in asymmetric synthesis.

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