Doxorubicinone

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Catalog Number ACM24385102-1
CAS 24385-10-2
Structure {[CurrentData.Name]}
IUPAC Name (7S,9S)-6,7,9,11-tetrahydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Synonyms Adriamycin Aglycone
Molecular Weight 414.36
Molecular Formula C21H18O9
Canonical SMILES COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4C[C@](C[C@@H](C4=C3O)O)(C(=O)CO)O)O
Inchi InChI=1S/C21H18O9/c1-30-11-4-2-3-8-14(11)20(28)16-15(17(8)25)18(26)9-5-21(29,12(24)7-22)6-10(23)13(9)19(16)27/h2-4,10,22-23,26-27,29H,5-7H2,1H3/t10-,21-/m0/s1
InChIKey IBZGBXXTIGCACK-CWKPULSASA-N
Boiling Point 726.6 °C at 760 mmHg (Predicted)
Flash Point 159.9±22.2 °C
Density 1.1±0.1 g/cm3
Appearance Solid
Refractive Index 1.549

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