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Substance Name: 2-Hydroxyaclacinomycin B
RN: 85819-82-5
InChIKey: YKOJDLMFXPQKSN-UHFFFAOYSA-N

Molecular Formula

  • C42-H51-N-O16

Molecular Weight

  • 825.856
 
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Names and Synonyms

Name of Substance

  • 2-Hydroxyaclacinomycin B

Synonym

  • 2HO-Acm-B

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 85819-82-5

System Generated Number

  • 0085819825

Structure Descriptors

InChI

1S/C42H51NO16/c1-8-42(51)15-28(32-20(34(42)40(50)52-7)11-22-33(37(32)49)36(48)31-21(35(22)47)9-19(44)10-25(31)46)57-29-12-23(43(5)6)38(17(3)53-29)58-30-14-26-39(18(4)54-30)59-41-27(56-26)13-24(45)16(2)55-41/h9-11,16-18,23,26-30,34,38-39,41,44,46,49,51H,8,12-15H2,1-7H3

InChIKey

YKOJDLMFXPQKSN-UHFFFAOYSA-N

Smiles

C1[C@@H]2[C@@H]([C@@H](O[C@@H]1O[C@@H]1[C@@H](N(C)C)C[C@@H](O[C@@H]3C[C@@]([C@@H](C(OC)=O)c4cc5C(=O)c6c(c(cc(O)c6)O)C(=O)c5c(O)c34)(O)CC)O[C@@H]1C)C)O[C@@H]1[C@@H](O2)CC([C@@H](O1)C)=O