Benzo[a]pyrenetetrol I 2-13C4

• CAT Number: R018890
• CAS Number: NA
• Molecular Formula: C₁₆¹³C₄H₁₆O₄
• Molecular Weight: 324.31
• Purity: ≥95%
• Synonyms: (7R,8S,9R,10R)-rel-7,8,9,10-Tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol2-13C4; (7α,8β,9β,10β)-rel-7,8,9,10-Tetrahydro-Benzo[a]pyrene-7,8,9,10-tetrol2-13C4; (±)-Benzo[a]pyrene-r-7,t-8,t-9,t-10-tetrahydrotetrol2-13C4; 7/8,9,10-Tetrahydroxytetrahydrobenzo[
• Storage: Store at -20°C
• IUPAC Name: (7R,8S,9R,10R)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol
• 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
• InChIKey: KWFVZAJQUSRMCC-CVRYFNCYSA-N
• SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4[13C@H]([13C@H]([13C@H]([13C@@H]5O)O)O)O)C=C2

Benzo[a]pyrenetetrol I 2-¹³C₄ is a carbon-13 labeled form of benzo[a]pyrenetetrol I, a metabolite of benzo[a]pyrene, a polycyclic aromatic hydrocarbon known for its carcinogenic properties. The four carbon-13 isotopes replace hydrogen atoms in the molecule, providing a stable isotopic label for enhanced precision in metabolic studies and tracking. This labeled compound is valuable for studying the metabolism, distribution, and detoxification pathways of benzo[a]pyrene in biological systems. Its applications include environmental monitoring, cancer research, and understanding the biochemical interactions of carcinogens, using techniques such as NMR spectroscopy and mass spectrometry.