title: Molecular structure of (+/-) 7alpha,8beta-dihydroxy 9beta, 10beta-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene; an X-ray crystallographic study.
abstract: The molecular structure of 7alpha, 8beta-dihydroxy-9beta, 10beta-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene, an ultimate carcinogenic form of benzo[a]pyrene has been determined by X-ray crystallography. The tetrahydrobenzene ring has diequatorial hydroxyl substitutents and a C8 half-chair conformation. The epoxide ring is symmetric and the plane of the epoxide ring is approximately at right angles to the plane of the aromatic system. A variety of other geometric parameters are reported.
authors.affiliation: Cancer Research Campaign Biomolecular Structure Research Group, Department of Biophysics, University of London King's College, 26-29 Drury Lane, London WC2B 5RL, UK.
authors.forename: S
authors.initials: S
authors.lastname: Neidle
authors.forename: A
authors.initials: A
authors.lastname: Subbiah
authors.forename: C S
authors.initials: CS
authors.lastname: Cooper
authors.forename: O
authors.initials: O
authors.lastname: Riberio
mesh_terms: D001580:Benzopyrenes / Q000737:chemistry*; D018360:Crystallography, X-Ray; D008968:Molecular Conformation; D015394:Molecular Structure; D013237:Stereoisomerism; D013329:Structure-Activity Relationship
chemical_list: C570217:7alpha,8beta-dihydroxy-9beta,10beta-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene; D001580:Benzopyrenes