Fumarprotocetraric Acid
[CAS# 489-50-9]

Identification

• Name: Fumarprotocetraric Acid
• Synonyms: 10-Formyl-3,9-Dihydroxy-4-[[(E)-4-Hydroxy-4-Oxobut-2-Enoyl]Oxymethyl]-1,7-Dimethyl-6-Oxobenzo[B][1,4]Benzodioxepine-2-Carboxylic Acid; 10-Formyl-3,9-Dihydroxy-4-[(4-Hydroxy-4-Oxo-But-2-Enoyl)Oxymethyl]-1,7-Dimethyl-6-Oxo-Benzo[B][1,4]Benzodioxepine-2-Carboxylic Acid; 10-Formyl-3,9-Dihydroxy-4-[[(E)-4-Hydroxy-4-Oxo-But-2-Enoyl]Oxymethyl]-1,7-Dimethyl-6-Oxo-Benzo[B][1,4]Benzodioxepine-2-Carboxylic Acid
• Molecular Formula: C₂₂H₁₆O₁₂
• Molecular Weight: 472.36
• CAS Registry Number: 489-50-9
• EINECS: 207-698-8
• SMILES: C3=C(C(=C2OC1=C(C(=C(O)C(=C1C)C(O)=O)COC(\C=C\C(O)=O)=O)OC(=O)C2=C3C)C=O)O
• InChI: 1S/C22H16O12/c1-8-5-12(24)10(6-23)19-15(8)22(31)34-20-11(7-32-14(27)4-3-13(25)26)17(28)16(21(29)30)9(2)18(20)33-19/h3-6,24,28H,7H2,1-2H3,(H,25,26)(H,29,30)/b4-3+
• InChIKey: VEGGRTFDFMUBPD-ONEGZZNKSA-N

Properties

• Density: 1.628g/cm³ (Cal.)
• Boiling point: 805.707°C at 760 mmHg (Cal.)
• Flash point: 282.536°C (Cal.)