Daunomycinone

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Catalog Number ACM21794558
CAS 21794-55-8
Structure {[CurrentData.Name]}
IUPAC Name (7S,9S)-9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Synonyms Daunomycin Aglicone
Molecular Weight 398.36
Molecular Formula C21H18O8
Canonical SMILES CC(=O)[C@]1(C[C@@H](C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)O)O
Inchi InChI=1S/C21H18O8/c1-8(22)21(28)6-10-13(11(23)7-21)19(26)16-15(18(10)25)17(24)9-4-3-5-12(29-2)14(9)20(16)27/h3-5,11,23,25-26,28H,6-7H2,1-2H3/t11-,21-/m0/s1
InChIKey YOFDHOWPGULAQF-MQJDWESPSA-N
Boiling Point 677.4 °C at 760 mmHg (Predicted)
Melting Point 208-210 °C
Flash Point 243.4±25.0 °C
Density 1.6±0.1 g/cm3
Appearance Red Solid
Refractive Index 1.713

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