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The molecular structure of (+/-)- 7 alpha, 8 beta-dihydroxy-7,8-dihydrobenzo[a]pyrene, an early metabolite of benzo[a]pyrene.

The molecular structure of (+/-)-7 alpha, 8 beta-dihydroxy-7,8-dihydrobenzo[a]pyrene has been determined by X-ray crystallographic methods. The analysis has shown that the two hydroxyl groups are trans to each other and di-equatorial to the ring. The dihydrobenzene group adopts a distorted half-chair pucker. Trends in several bond distances indicate reactive points in the molecule.