COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O

CAS: 21794-55-8

Nom: daunomycinone

IUPAC: (7S,9S)-9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

SMILES: COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O

Canonical SMILES: CC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O)O

Formule moléculaire: C21H18O8

Masse molaire: 398.40

InChIKey: YOFDHOWPGULAQF-MQJDWESPSA-N

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

PubChem CID: 83843 →

Synonymes

Daunomycinone21794-55-8Daunorubicinone(+)-DaunomycinoneLeukaemomycinone C(7S,9S)-9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dioneFN5680X78XNSC-109351DTXSID50944400rubomycin aglyconeRefChem:585204DTXCID201776187Daunomycin agliconeDaunomycinon(8S,10S)-8-Acetyl-6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dioneDaunomycin aglyconeNSC 1093515,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-1-methoxy-, (8S,10S)-Epirubicin EP Impurity BNSC 109351; Leukaemomycinone CCCRIS 7632Epirubicin Impurity BSCHEMBL118279UNII-FN5680X78XCHEMBL423953orb1705472DAUNORUBICINONE [USP-RS]SCHEMBL30089793YOFDHOWPGULAQF-MQJDWESPSA-CHEBI:204476

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→