Maggiemycin
[CAS# 81341-47-1]

Identification

• Name: Maggiemycin
• Synonyms: (1R,2R)-2-Ethyl-2,5,7,12-Tetrahydroxy-4,6,11-Trioxo-1,3-Dihydrotetracene-1-Carboxylic Acid Methyl Ester; (1R,2R)-2-Ethyl-2,5,7,12-Tetrahydroxy-4,6,11-Triketo-1,3-Dihydrotetracene-1-Carboxylic Acid Methyl Ester; 1-Naphthacenecarboxylic Acid, 2-Ethyl-1,2,3,4,6,11-Hexahydro-2,5,7,12-Tetrahydroxy-4,6,11-Trioxo-, Methyl Ester, (1R-Trans)-
• Molecular Formula: C₂₂H₁₈O₉
• Molecular Weight: 426.38
• CAS Registry Number: 81341-47-1
• SMILES: [C@H]4(C1=C(C(=C2C(=C1O)C(=O)C3=C(C2=O)C(=CC=C3)O)O)C(=O)C[C@]4(O)CC)C(OC)=O
• InChI: 1S/C22H18O9/c1-3-22(30)7-10(24)12-13(16(22)21(29)31-2)20(28)14-15(19(12)27)18(26)11-8(17(14)25)5-4-6-9(11)23/h4-6,16,23,27-28,30H,3,7H2,1-2H3/t16-,22+/m0/s1
• InChIKey: FCUPTGDGQULLKX-KSFYIVLOSA-N

Properties

• Density: 1.589g/cm³ (Cal.)
• Boiling point: 653.261°C at 760 mmHg (Cal.)
• Flash point: 230.795°C (Cal.)