(12bS)-12b-Methyl-1H-tetrapheno[5,4-bc]furan-3,6,8,11(2H,12bH)-tetrone
[CAS# 86690-14-4]

Identification

• Name: (12bS)-12b-Methyl-1H-tetrapheno[5,4-bc]furan-3,6,8,11(2H,12bH)-tetrone
• Synonyms: (12bS)-12b-methyl-1H-tetrapheno[5,4-bc]furan-3,6,8,11(2H,12bH)-tetrone; 1H-benzo[6,7]phenanthro[10,1-bc]furan-3,6,8,11(2H,12bH)-tetrone, 12b-methyl-, (12bS)-; helenaquinone
• Molecular Formula: C₂₀H₁₂O₅
• Molecular Weight: 332.31
• CAS Registry Number: 86690-14-4
• SMILES: C[C@@]12CCC(=O)C3=COC(=C31)C(=O)C4=C2C=C5C(=O)C=CC(=O)C5=C4
• InChI: 1S/C20H12O5/c1-20-5-4-16(23)12-8-25-19(17(12)20)18(24)11-6-9-10(7-13(11)20)15(22)3-2-14(9)21/h2-3,6-8H,4-5H2,1H3/t20-/m0/s1
• InChIKey: SMGBXXZKAPMTBB-FQEVSTJZSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 601.2±55.0°C at 760 mmHg (Cal.)
• Flash point: 302.7±24.2°C (Cal.)