3,4-Dihydro-2,5,7-Trihydroxy-3-Methoxy-2-Methyl-1,6,11(2H)-Naphthacenetrione
[CAS# 68178-51-8]

Identification

• Name: 3,4-Dihydro-2,5,7-Trihydroxy-3-Methoxy-2-Methyl-1,6,11(2H)-Naphthacenetrione
• Synonyms: 1,6,11(2H)-Naphthacenetrione, 3,4-Dihydro-2,5,7-Trihydroxy-3-Methoxy-2-Methyl-; 3-Methoxy-2-Methyl-2,5,7-Trihydroxy-3,4-Dihydro-1,6,11(2H)-Naphthacenetrione; Antibiotic Sm 173B
• Molecular Formula: C₂₀H₁₆O₇
• Molecular Weight: 368.34
• CAS Registry Number: 68178-51-8
• SMILES: C1=C3C(=C(O)C2=C1C(=O)C(O)(C(OC)C2)C)C(=O)C4=C(C3=O)C=CC=C4O
• InChI: 1S/C20H16O7/c1-20(26)13(27-2)7-9-10(19(20)25)6-11-15(17(9)23)18(24)14-8(16(11)22)4-3-5-12(14)21/h3-6,13,21,23,26H,7H2,1-2H3
• InChIKey: JYDSLMCACANRIN-UHFFFAOYSA-N

Properties

• Density: 1.596g/cm³ (Cal.)
• Boiling point: 665.44°C at 760 mmHg (Cal.)
• Flash point: 243.376°C (Cal.)