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trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene-[d8]

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General Information
Catalog: BLP-007493
CAS: 861441-06-7
Molecular Formula: C20H6D8O2
Molecular Weight: 294.37

Chemical Structure

Description	Trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene-[d8] is a labelled metabolite of Benzopyrene. A carcinogen.
Synonyms	(7R,8R)-rel-7,8-Dihydrobenzo[a]pyrene-1,2,3,4,5,6,11,12-d8-7,8-diol
IUPAC Name	(7S,8S)-1,2,3,4,5,6,11,12-octadeuterio-7,8-dihydrobenzo[a]pyrene-7,8-diol
Related CAS	60864-95-1 (unlabelled)
Canonical SMILES	C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC(C5O)O)C=C2
InChI	InChI=1S/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H/t17-,20-/m0/s1/i1D,2D,3D,4D,5D,6D,7D,10D
InChI Key	YDXRLMMGARHIIC-LDVINQMJSA-N
Purity	>98%