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Substance Name: N-Aconityldaunomycin
RN: 80445-77-8
InChIKey: IIZSVMHRXBHTLX-PLPPDFPPSA-N

Molecular Weight

  • 683.616
 
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Names and Synonyms

Name of Substance

  • N-Aconityldaunomycin

Synonyms

  • N-ADM
  • N-cis-Aconityldaunomycin

Systematic Name

  • 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((3,4-dicarboxy-1-oxo-2-butenyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-(8alpha,10alpha(Z)))-

Registry Numbers

CAS Registry Number

  • 80445-77-8

System Generated Number

  • 0080445778

Structure Descriptors

InChI

1S/C33H33NO15/c1-12-27(39)17(34-20(36)7-14(32(44)45)8-21(37)38)9-22(48-12)49-19-11-33(46,13(2)35)10-16-24(19)31(43)26-25(29(16)41)28(40)15-5-4-6-18(47-3)23(15)30(26)42/h4-7,12,17,19,22,27,39,41,43,46H,8-11H2,1-3H3,(H,34,36)(H,37,38)(H,44,45)/b14-7-/t12-,17-,19?,22-,27+,33-/m0/s1

InChIKey

IIZSVMHRXBHTLX-PLPPDFPPSA-N

Smiles

N([C@H]1C[C@H](O[C@@H]2C[C@](Cc3c(O)c4C(c5cccc(OC)c5C(=O)c4c(O)c23)=O)(O)C(C)=O)O[C@H]([C@H]1O)C)C(=O)\C=C(\CC(=O)O)C(=O)O