(7S,9S)-9-Glycoloyl-6,7,9,11-tetrahydroxy-7,8,9,10-tetrahydro-5,12-tetracenedione
[CAS# 86333-80-4]

Identification

• Name: (7S,9S)-9-Glycoloyl-6,7,9,11-tetrahydroxy-7,8,9,10-tetrahydro-5,12-tetracenedione
• Synonyms: 4-Demethoxyadriamycinone; 4-Demethoxydoxorubicinone
• Molecular Formula: C₂₀H₁₆O₈
• Molecular Weight: 384.34
• CAS Registry Number: 86333-80-4
• SMILES: O=C2c3c(C(=O)c1ccccc12)c(O)c4c(c3O)[C@@H](O)C[C@](O)(C(=O)CO)C4
• InChI: 1S/C20H16O8/c21-7-12(23)20(28)5-10-13(11(22)6-20)19(27)15-14(18(10)26)16(24)8-3-1-2-4-9(8)17(15)25/h1-4,11,21-22,26-28H,5-7H2/t11-,20-/m0/s1
• InChIKey: MWROBUNHUAIFQH-YBTHPKLGSA-N

Properties

• Density: 1.716g/cm³ (Cal.)
• Boiling point: 676.077°C at 760 mmHg (Cal.)
• Flash point: 376.656°C (Cal.)