4-Demethyl Daunomycinone

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Catalog Number ACM52744226-1
Product Name 4-Demethyl Daunomycinone
CAS Number 52744-22-6
Structure 4-Demethyl Daunomycinone
IUPAC Name (7S,9S)-9-acetyl-4,6,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Synonyms Carminomycinone
Molecular Weight 384.34
Molecular Formula C20H16O8
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)O)O)O)O
Inchi InChI=1S/C20H16O8/c1-7(21)20(28)5-9-13(11(23)6-20)19(27)15-14(17(9)25)16(24)8-3-2-4-10(22)12(8)18(15)26/h2-4,11,22-23,25,27-28H,5-6H2,1H3/t11-,20-/m0/s1
InChIKey XYDJGVROLWFENK-YBTHPKLGSA-N
Boiling Point 656.1 ºC at 760 mmHg
Flash Point 364.6 ºC
Density 1.709 g/cm3
Refractive Index 1.769

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