9beta,10alpha-Dihydroxy-7beta,8beta-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
[CAS# 66212-61-1]

Identification

• Name: 9beta,10alpha-Dihydroxy-7beta,8beta-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
• Synonyms: Bpde-Iii; (+-)-9Beta,10Alpha-Dihydroxy-7Beta,8Beta-Epoxy-7,8,9,10-Tetrahydrobenzo(A)Pyrene; (+-)-Anti-Bpde-Iii
• Molecular Formula: C₂₀H₁₄O₃
• Molecular Weight: 302.33
• CAS Registry Number: 66212-61-1
• SMILES: [C@H]5([C@H](C1=C(C=C2C=CC3=CC=CC4=CC=C1C2=C34)C6[C@@H]5O6)O)O
• InChI: 1S/C20H14O3/c21-17-16-12-7-6-10-3-1-2-9-4-5-11(15(12)14(9)10)8-13(16)19-20(23-19)18(17)22/h1-8,17-22H/t17-,18+,19?,20+/m0/s1
• InChIKey: VAHKPYXMVVSHGS-JWQSRSOLSA-N

Properties

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