(+,-)-3-alpha,4-beta-Dihydroxy-1-alpha,2-alpha-Epoxy-1,2,3,4-Tetrahydrodibenzo(a,i)Pyrene
[CAS# 78919-12-7]

Identification

• Name: (+,-)-3-alpha,4-beta-Dihydroxy-1-alpha,2-alpha-Epoxy-1,2,3,4-Tetrahydrodibenzo(a,i)Pyrene
• Synonyms: Benzo(Rst)Pentaphene-3-Alpha,4-Beta-Diol, 1,2,3,4-Tetrahydro-1-Alpha,2-Alpha-Epo; Benzo(Rst)Pentaphene-3-Alpha,4-Beta-Diol, 1,2,3,4-Tetrahydro-1-Alpha,2-Alpha-Epoxy-, (+-)-
• Molecular Formula: C₂₄H₁₆O₃
• Molecular Weight: 352.39
• CAS Registry Number: 78919-12-7
• SMILES: [C@H]67C1=C(C=C4C2=C1C=CC3=C5C(=CC(=C23)C=C4)C=CC=C5)[C@@H]([C@H]([C@H]6O7)O)O
• InChI: 1S/C24H16O3/c25-21-17-10-13-6-5-12-9-11-3-1-2-4-14(11)15-7-8-16(19(13)18(12)15)20(17)23-24(27-23)22(21)26/h1-10,21-26H/t21-,22+,23-,24+/m0/s1
• InChIKey: UBKAFKKDQRRBNO-UARRHKHWSA-N

Properties

• Density: 1.554g/cm³ (Cal.)
• Boiling point: 669.719°C at 760 mmHg (Cal.)
• Flash point: 358.833°C (Cal.)