Benzo[a]pyrenetetrol II 1 -13C4

CAS: 61490-67-3

Ref. TR-B205853

Product Information

• Name: Benzo[a]pyrenetetrol II 1 -13C4
• Synonyms: (7α,8β,9α,10β)-7,8,9,10-Tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol-13C4, (±)-Benzo[a]pyrene-r-7,t-8,c-9,t-10-tetrahydrotetrol-13C4, 7,9/8,10-Tetrahydroxytetrahydrobenzo[a]pyrene-13C4, 7β,8α,9β,10α-Tetrahydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene-13C4
• Brand: TRC
• Description: Applications Isotope labelled Benzo[a]pyrenetetrol II 1 is an environmental pollutant and carcinogen in humans and rodents, used in metabolic studies.References Uppstad, H. et al.: Toxicol. Lett., 192, 221 (2010); Solhaug, A. et al.: Chem. Biol. Int., 15, 101 (2005)

Chemical properties

• Molecular weight: 324.309
• Formula: C₄C₁₆H₁₆O₄
• Color/Form: Neat
• InChI: InChI=1S/C20H16O4/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)18(22)20(24)19(17)23/h1-8,17-24H/t17-,18-,19+,20+/m1/s1/i17+1,18+1,19+1,20+1
• InChI key: InChIKey=KWFVZAJQUSRMCC-AQWUJEPRSA-N
• SMILES: O[13C@@H]1[13C@@H](O)[13C@H](O)c2c(cc3ccc4cccc5ccc2c3c45)[13C@H]1O