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Substance Name: 4-O-Methylaclacinomycin M
RN: 79199-60-3
InChIKey: KVIIANFYTFTSTQ-UHFFFAOYSA-N

Molecular Formula

  • C43-H57-N-O15

Molecular Weight

  • 827.915
 
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Names and Synonyms

Results Name

  • 4-O-Methylaclacinomycin M

Synonyms

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

  • 79199-60-3

System Generated Number

  • 0079199603

Structure Descriptors

InChI

1S/C43H57NO15/c1-9-43(51)18-29(34-23(36(43)42(50)53-8)15-24-35(39(34)49)38(48)33-22(37(24)47)11-10-12-28(33)52-7)57-31-16-25(44(5)6)40(20(3)55-31)59-32-17-27(46)41(21(4)56-32)58-30-14-13-26(45)19(2)54-30/h10-12,15,19-21,25-27,29-32,36,40-41,45-46,49,51H,9,13-14,16-18H2,1-8H3

InChIKey

KVIIANFYTFTSTQ-UHFFFAOYSA-N

Smiles

C1[C@@H](O[C@@H]([C@@H](C1)O)C)O[C@@H]1[C@@H](O[C@@H](C[C@@H]1O)O[C@@H]1[C@@H](C[C@@H](O[C@@H]1C)O[C@@H]1c2c(cc3c(C(=O)c4c(cccc4C3=O)OC)c2O)[C@@H](C(OC)=O)[C@@](CC)(O)C1)N(C)C)C