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Substance Name: 4-Demethoxydoxorubicinone
RN: 86333-80-4
InChIKey: MWROBUNHUAIFQH-YBTHPKLGSA-N

Note

  • A metabolite of annamycin.

Molecular Formula

  • C20-H16-O8

Molecular Weight

  • 384.3384
 
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Names and Synonyms

Name of Substance

  • 4-Demethoxydoxorubicinone

Synonyms

  • (7S-cis)-7,8,9,10-Tetrahydro-6,7,9,11-tetrahydroxy-9-(hydroxyacetyl)-5,12-naphthacenedione
  • 4-Demethoxyadriamycinone

Systematic Name

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,7,9,11-tetrahydroxy-9-(hydroxyacetyl)-, (7S-cis)-

Registry Numbers

CAS Registry Number

  • 86333-80-4

System Generated Number

  • 0086333804

Structure Descriptors

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

Smiles

c1ccc2c(c1)C(=O)c3c(c(c4c(c3O)C[C@](C[C@@H]4O)(C(=O)CO)O)O)C2=O