Tetracenomycin B3
[CAS# 117241-62-0]

Identification

• Name: Tetracenomycin B3
• Synonyms: 3,10,12-Trihydroxy-8-Methoxy-1-Methyl-6,11-Dioxo-Tetracene-2-Carboxylic Acid; 3,10,12-Trihydroxy-8-Methoxy-1-Methyl-6,11-Dioxo-2-Tetracenecarboxylic Acid; 3,10,12-Trihydroxy-6,11-Diketo-8-Methoxy-1-Methyl-Tetracene-2-Carboxylic Acid
• Molecular Formula: C₂₁H₁₄O₈
• Molecular Weight: 394.34
• CAS Registry Number: 117241-62-0
• SMILES: C1=C3C(=C(O)C2=C(C(=C(O)C=C12)C(=O)O)C)C(=O)C4=C(C3=O)C=C(OC)C=C4O
• InChI: 1S/C21H14O8/c1-7-14-8(4-12(22)15(7)21(27)28)3-10-17(19(14)25)20(26)16-11(18(10)24)5-9(29-2)6-13(16)23/h3-6,22-23,25H,1-2H3,(H,27,28)
• InChIKey: NSKLWYCTXNPUBB-UHFFFAOYSA-N

Properties

• Density: 1.634g/cm³ (Cal.)
• Boiling point: 714.638°C at 760 mmHg (Cal.)
• Flash point: 259.198°C (Cal.)