syn-9-Hydroxychrysene-1,2-diol-3,4-epoxide
[CAS# 104975-31-7]

Identification

• Name: syn-9-Hydroxychrysene-1,2-diol-3,4-epoxide
• Synonyms: 1-Alpha,2-Beta,2A-Beta,3A-Beta-Tetrahydrochryseno(3,4-B)Oxirene-1,2,8-Triol; 9-Hydroxy-T-1,T-2-Dihydroxy-T-3,4-Oxy-1,2,3,4-Tetrahydrochrysene; 9-Hydroxychrysene-1,2-Diol-3,4-Oxide
• Molecular Formula: C₁₈H₁₄O₄
• Molecular Weight: 294.31
• CAS Registry Number: 104975-31-7
• SMILES: [C@@H]15[C@@H]([C@H]([C@@H](C2=CC=C3C(=C12)C=CC4=CC=C(C=C34)O)O)O)O5
• InChI: 1S/C18H14O4/c19-9-3-1-8-2-4-11-10(13(8)7-9)5-6-12-14(11)17-18(22-17)16(21)15(12)20/h1-7,15-21H/t15-,16+,17+,18-/m1/s1
• InChIKey: PAPRUUIWEKWIAZ-VSZNYVQBSA-N

Properties

• Density: 1.576g/cm³ (Cal.)
• Boiling point: 632.903°C at 760 mmHg (Cal.)
• Flash point: 336.568°C (Cal.)