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Substance Name: 4-O-Methylaclacinomycin
RN: 76304-86-4
InChIKey: ZLZGCVLBDYRXJV-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C43-H55-N-O15

Molecular Weight

  • 825.899
 
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Names and Synonyms

Name of Substance

  • 4-O-Methylaclacinomycin

Synonym

  • 4-O-Methylaclacinomycin A

Systematic Names

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

  • 76304-86-4

System Generated Number

  • 0076304864

Structure Descriptors

InChI

1S/C43H55NO15/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/h10-12,15,19-21,25,27,29-32,36,40-41,46,49,51H,9,13-14,16-18H2,1-8H3

InChIKey

ZLZGCVLBDYRXJV-UHFFFAOYSA-N

Smiles

C1[C@@]([C@@H](C(=O)OC)c2cc3C(=O)c4cccc(OC)c4C(c3c(c2[C@@H]1O[C@@H]1C[C@@H](N(C)C)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)[C@@H](O[C@@H]2CCC(=O)[C@@H](C)O2)[C@@H](O)C1)O)=O)(CC)O