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Substance Name: 2-Hydroxyaclacinomycin S
RN: 80839-97-0
InChIKey: NLBNSTYNVGOZCR-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C36-H45-N-O14

Molecular Weight

  • 715.745
 
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Names and Synonyms

Results Name

  • 2-Hydroxyaclacinomycin S

Synonym

  • 2-Hydroxyaclacinomycin S

Systematic Name

  • 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-2,5,7,9-tetrahydroxy-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-

Registry Numbers

CAS Registry Number

  • 80839-97-0

System Generated Number

  • 0080839970

Structure Descriptors

InChI

1S/C36H45NO14/c1-7-36(46)13-23(50-24-11-20(37(4)5)34(15(3)49-24)51-25-12-22(40)30(41)14(2)48-25)27-17(29(36)35(45)47-6)10-19-28(33(27)44)32(43)26-18(31(19)42)8-16(38)9-21(26)39/h8-10,14-15,20,22-25,29-30,34,38-41,44,46H,7,11-13H2,1-6H3

InChIKey

NLBNSTYNVGOZCR-UHFFFAOYSA-N

Smiles

O1[C@@H](C[C@@H]([C@@H]([C@@H]1C)O)O)O[C@@H]1[C@@H](N(C)C)C[C@@H](O[C@@H]2c3c(cc4C(=O)c5cc(cc(c5C(=O)c4c3O)O)O)[C@@H]([C@@](C2)(O)CC)C(=O)OC)O[C@@H]1C