X-ray crystallographic analysis of (+/-)-7 beta,8 alpha-dihydroxy-9 beta,10 beta-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene: molecular structure of a 'syn' diol epoxide

Carcinogenesis
S Neidle, S D Cutbush

Abstract

X-ray crystallographic analysis has been used to define the molecular structure of the cis (syn) diol epoxide, (+/-)-7 beta,8 alpha-dihydroxy-9 beta, 10 beta-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene. The two hydroxyl groups are oriented equatorially to the tetrahydrobenzene ring, contrary to predictions and there is no intramolecular hydrogen bonding in the structure.

Citations

Feb 6, 2004·Proceedings of the National Academy of Sciences of the United States of America·Isabella L KarleDonald M Jerina

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