(+)-7R,8S-Dihydroxy-9S,10R-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
[CAS# 63323-31-9]

Identification

• Name: (+)-7R,8S-Dihydroxy-9S,10R-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
• Synonyms: Benzo(A)Pyrene, 7,8,9,10-Tetrahydro-7-Alpha,8-Beta-Dihydroxy-9-Beta,10-Beta-Epoxy-, (+)-E-; Benzo(A)Pyrene, 7,8,9,10-Tetrahydro-7-Beta,8-Alpha-Dihydroxy-9-Alpha,10-Alpha-Epoxy-, (+)-E-; Benzo(A)Pyrene-7,8-Diol-9,10-Epoxide, 7R-Anti
• Molecular Formula: C₂₀H₁₄O₃
• Molecular Weight: 302.33
• CAS Registry Number: 63323-31-9
• SMILES: [C@H]12O[C@H]1[C@@H](O)[C@H](O)C3=C2C6=C4C(=C3)C=CC5=CC=CC(=C45)C=C6
• InChI: 1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H/t17-,18+,19-,20+/m1/s1
• InChIKey: DQEPMTIXHXSFOR-WCIQWLHISA-N

Properties

• Density: 1.57g/cm³ (Cal.)
• Boiling point: 594.249°C at 760 mmHg (Cal.)
• Flash point: 313.191°C (Cal.)