Purpuromycin
[CAS# 53969-01-0]

Identification

• Name: Purpuromycin
• Synonyms: Methyl 4,4',9',10-Tetrahydroxy-7'-Methoxy-5',8',9-Trioxo-Spiro[3,4-Dihydropyrano[5,6-G]Isochromene-2,2'-3H-Benzo[F]Benzofuran]-7-Carboxylate; 4,4',9',10-Tetrahydroxy-7'-Methoxy-5',8',9-Trioxo-7-Spiro[3,4-Dihydropyrano[5,6-G]Isochromene-2,2'-3H-Benzo[F]Benzofuran]Carboxylic Acid Methyl Ester; 4,4',9',10-Tetrahydroxy-5',8',9-Triketo-7'-Methoxy-Spiro[3,4-Dihydropyrano[5,6-G]Isochromene-2,2'-3H-Benzo[F]Benzofuran]-7-Carboxylic Acid Methyl Ester
• Molecular Formula: C₂₆H₁₈O₁₃
• Molecular Weight: 538.42
• CAS Registry Number: 53969-01-0
• SMILES: C1=C6C(=C(O)C2=C1C=C(OC2=O)C(OC)=O)OC3(OC4=C(C3)C(=C5C(=C4O)C(=O)C(=CC5=O)OC)O)CC6O
• InChI: 1S/C26H18O13/c1-35-13-5-11(27)16-17(19(13)30)21(32)23-10(18(16)29)6-26(39-23)7-12(28)9-3-8-4-14(24(33)36-2)37-25(34)15(8)20(31)22(9)38-26/h3-5,12,28-29,31-32H,6-7H2,1-2H3
• InChIKey: VGXVKHPGBHVPMW-UHFFFAOYSA-N

Properties

• Density: 1.839g/cm³ (Cal.)
• Boiling point: 927.655°C at 760 mmHg (Cal.)
• Flash point: 318.453°C (Cal.)