8-(1,2-Dihydroxyethyl)-6,8,11-Trihydroxy-1-Methoxy-9,10-Dihydro-7H-Tetracene-5,12-Dione
[CAS# 116455-20-0]

Identification

• Name: 8-(1,2-Dihydroxyethyl)-6,8,11-Trihydroxy-1-Methoxy-9,10-Dihydro-7H-Tetracene-5,12-Dione
• Synonyms: 9-(1,2-Dihydroxyethyl)-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone; 5,12-Naphthacenedione, 8-(1,2-Dihydroxyethyl)-7,8,9,10-Tetrahydro-6,8,11-Trihydroxy-1-Methoxy-; 7-Deoxy-13-Dihydroadriamycinone
• Molecular Formula: C₂₁H₂₀O₈
• Molecular Weight: 400.38
• CAS Registry Number: 116455-20-0
• SMILES: C1=CC=C(OC)C4=C1C(=O)C2=C(C(=C3C(=C2O)CC(O)(CC3)C(O)CO)O)C4=O
• InChI: 1S/C21H20O8/c1-29-12-4-2-3-10-14(12)20(27)16-15(18(10)25)19(26)11-7-21(28,13(23)8-22)6-5-9(11)17(16)24/h2-4,13,22-24,26,28H,5-8H2,1H3
• InChIKey: IGJIPNOEJDYNRR-UHFFFAOYSA-N

Properties

• Density: 1.584g/cm³ (Cal.)
• Boiling point: 765.318°C at 760 mmHg (Cal.)
• Flash point: 274.816°C (Cal.)