(11alpha,12abeta,13abeta)-11,12,12a,13a-Tetrahydro-Dibenzo(5,6:10,11)Chryseno(3,4-b)Oxirene-11,12-Diol
[CAS# 153857-28-4]

Identification

• Name: (11alpha,12abeta,13abeta)-11,12,12a,13a-Tetrahydro-Dibenzo(5,6:10,11)Chryseno(3,4-b)Oxirene-11,12-Diol
• Synonyms: 11,12-Dihydroxy-13,14-Epoxy-11,12,13,14-Tetrahydrodibenzo(A,L)Pyrene; Ccris 7385; Dibenzo(5,6:10,11)Chryseno(3,4-B)Oxirene-11,12-Diol, 11,12,12A,13A-Tetrahydro- (11Alpha,12Abeta,13Abeta)-
• Molecular Formula: C₂₄H₁₆O₃
• Molecular Weight: 352.39
• CAS Registry Number: 153857-28-4
• SMILES: [C@@H]6([C@@H](C2=C(C1=C5C(=C4C3=C1C(=C2)C=CC3=CC=C4)C=CC=C5)[C@H]7[C@@H]6O7)O)O
• InChI: 1S/C24H16O3/c25-21-16-10-12-9-8-11-4-3-7-14-13-5-1-2-6-15(13)19(18(12)17(11)14)20(16)23-24(27-23)22(21)26/h1-10,21-26H/t21-,22+,23+,24-/m1/s1
• InChIKey: CJAMAUFDXDSQLU-NAVOZUGXSA-N

Properties

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