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Substance Name: 4-Demethoxydaunorubicin, beta
RN: 58957-93-0
InChIKey: XDXDZDZNSLXDNA-IKBNTCJRSA-N

Molecular Formula

  • C26-H27-N-O9

Molecular Weight

  • 497.4973
 
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Names and Synonyms

Results Name

  • 4-Demethoxydaunorubicin, beta

Synonym

  • (7S-cis)-9-Acetyl-7-((3-amino-2,3,6-trideoxy-beta-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-5,12-naphthacenedione

Systematic Name

  • 5,12-Naphthacenedione, 9-acetyl-7-((3-amino-2,3,6-trideoxy-beta-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-, (7S-cis)-

Registry Numbers

CAS Registry Number

  • 58957-93-0

System Generated Number

  • 0058957930

Structure Descriptors

InChI

1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17+,21+,26-/m0/s1

InChIKey

XDXDZDZNSLXDNA-IKBNTCJRSA-N

Smiles

C[C@@H]1O[C@@H](C[C@H](N)[C@@H]1O)O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)C