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Substance Name: 13-Methylaclacinomycin S
RN: 78776-21-3
InChIKey: YNVARDQOMVCVFF-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C37-H47-N-O13

Molecular Weight

  • 713.772
 
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Names and Synonyms

Results Name

  • 13-Methylaclacinomycin S

Synonym

  • 13-Methylaclacinomycin S

Systematic Name

  • 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-(1-methylethyl)-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-

Registry Numbers

CAS Registry Number

  • 78776-21-3

System Generated Number

  • 0078776213

Structure Descriptors

InChI

1S/C37H47NO13/c1-15(2)37(46)14-24(50-25-12-21(38(5)6)35(17(4)49-25)51-26-13-23(40)31(41)16(3)48-26)28-19(30(37)36(45)47-7)11-20-29(34(28)44)33(43)27-18(32(20)42)9-8-10-22(27)39/h8-11,15-17,21,23-26,30-31,35,39-41,44,46H,12-14H2,1-7H3

InChIKey

YNVARDQOMVCVFF-UHFFFAOYSA-N

Smiles

C1[C@@H](O[C@@H]([C@@H]([C@@H]1O)O)C)O[C@@H]1[C@@H](N(C)C)C[C@@H](O[C@@H]2c3c([C@@H]([C@@](C2)(C(C)C)O)C(=O)OC)cc2C(=O)c4cccc(c4C(=O)c2c3O)O)O[C@@H]1C