(7S,8R,9S,10R)-7,8,9,10-Tetrahydro-9,10-Epoxybenzo[a]Pyrene-7,8-Diol
[CAS# 63323-29-5]

Identification

• Name: (7S,8R,9S,10R)-7,8,9,10-Tetrahydro-9,10-Epoxybenzo[a]Pyrene-7,8-Diol
• Synonyms: (+)-Benzo(A)Pyrene-7,8-Diol-9,10-Epoxide, Syn; (+)Cis-7-Alpha,8-Beta-Dihydroxy-9-Alpha,10-Alpha-Epoxy-7,8,9,10-Tetrahydrobenzo(A)Pyrene; Benzo(A)Pyrene, 7-Alpha,8-Beta-Dihydroxy-9-Alpha,10-Alpha-Epoxy-7,8,9,10-Tetrahy
• Molecular Formula: C₂₀H₁₄O₃
• Molecular Weight: 302.33
• CAS Registry Number: 63323-29-5
• SMILES: [C@@H]56C1=C(C=C4C2=C1C=CC3=C2C(=CC=C3)C=C4)[C@@H]([C@H]([C@@H]5O6)O)O
• 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-/m0/s1
• InChIKey: DQEPMTIXHXSFOR-NMLBUPMWSA-N

Properties

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