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Substance Name: Aclacinomycin A-oxime
RN: 80930-66-1
InChIKey: AUGYQSCOOFVCEO-PJYNGAJZSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C42-H54-N2-O15

Molecular Weight

  • 826.888
 
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Names and Synonyms

Results Name

  • Aclacinomycin A-oxime

Synonym

  • Aclacinomycin A-oxime

Systematic Name

  • 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2S-trans)-tetrahydro-5-(hydroxyimino)-6-methyl-2H-pyran-2-yl)-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

  • 80930-66-1

System Generated Number

  • 0080930661

Structure Descriptors

InChI

1S/C42H54N2O15/c1-8-42(51)17-28(33-22(35(42)41(50)53-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)57-30-15-25(44(5)6)39(19(3)55-30)59-31-16-27(46)40(20(4)56-31)58-29-13-12-24(43-52)18(2)54-29/h9-11,14,18-20,25,27-31,35,39-40,45-46,49,51-52H,8,12-13,15-17H2,1-7H3/b43-24-

InChIKey

AUGYQSCOOFVCEO-PJYNGAJZSA-N

Smiles

C1C\C([C@@H](O[C@@H]1O[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(cc2[C@@H]([C@@](C1)(O)CC)C(=O)OC)C(=O)c1cccc(O)c1C3=O)O)N(C)C)O)C)=N\O