(7R,8S,9R,10S)-rel-7,8,9,10-Tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol-d8

• CAT Number: R018877
• CAS Number: NA
• Molecular Formula: C₂₀H₈D₈O₄
• Molecular Weight: 328.39
• Purity: ≥95%
• Synonyms: (7α,8β,9β,10α)-7,8,9,10-Tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol-d8; (7,10/8,9)-Tetrahydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene-d8; (±)-Benzo[a]pyrene-r-7,t-8,t-9,c-10-tetrahydrotetrol-d8; 7β,8α,9α,10β-Tetrahydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene-d8
• Storage: Store at -20°C
• IUPAC Name: (7R,8S,9R,10S)-1,2,3,4,5,6,11,12-octadeuterio-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/i1D,2D,3D,4D,5D,6D,7D,8D
• InChIKey: KWFVZAJQUSRMCC-KLQUHCHMSA-N
• SMILES: [2H]C1=C(C2=C3C(=C1[2H])C(=C(C4=C3C(=C(C5=C4[C@@H]([C@H]([C@H]([C@@H]5O)O)O)O)[2H])C(=C2[2H])[2H])[2H])[2H])[2H]

(7R,8S,9R,10S)-rel-7,8,9,10-Tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol-d8 is a deuterated analog of the tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol, where eight hydrogen atoms are replaced by deuterium. This compound is used primarily in environmental and biochemical research to study the metabolism and bioactivity of polycyclic aromatic hydrocarbons (PAHs). The deuterium labeling allows for precise tracking of the compound in complex biological systems through mass spectrometry and NMR spectroscopy. This tetrol derivative is of interest due to its potential roles in understanding the toxicology and metabolic pathways of PAHs, which are known for their environmental persistence and potential carcinogenic effects.