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Substance Name: 13-Methylaclacinomycin N
RN: 78776-20-2
InChIKey: XCFREMMTYQYOHO-UHFFFAOYSA-N

Molecular Formula

  • C43-H57-N-O15

Molecular Weight

  • 827.915
 
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Names and Synonyms

Results Name

  • 13-Methylaclacinomycin N

Synonyms

  • 13-Methylaclacinomycin N
  • Methyl (1R-(1alpha,2beta,4beta))-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-2-(1-methylethyl)-6,11-dioxo-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-(2alpha,5beta,6beta))tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1-naphthacenecarboxylate
  • Methyl 1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-2-(1-methylethyl)-6,11-dioxo-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-(2alpha,5beta,6beta))tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1-naphthacenecarboxylate (1R-(1alpha,2beta,4beta))-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78776-20-2

System Generated Number

  • 0078776202

Structure Descriptors

InChI

1S/C43H57NO15/c1-18(2)43(52)17-29(34-23(36(43)42(51)53-8)14-24-35(39(34)50)38(49)33-22(37(24)48)10-9-11-27(33)46)57-31-15-25(44(6)7)40(20(4)55-31)59-32-16-28(47)41(21(5)56-32)58-30-13-12-26(45)19(3)54-30/h9-11,14,18-21,25-26,28-32,36,40-41,45-47,50,52H,12-13,15-17H2,1-8H3

InChIKey

XCFREMMTYQYOHO-UHFFFAOYSA-N

Smiles

C1[C@@H](O[C@@H]([C@@H](C1)O)C)O[C@@H]1[C@@H](C[C@@H](O[C@@H]1C)O[C@@H]1[C@@H](C[C@@H](O[C@@H]1C)O[C@@H]1c2c(c3C(=O)c4c(cccc4C(=O)c3cc2[C@@H]([C@@](C1)(C(C)C)O)C(=O)OC)O)O)N(C)C)O