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Substance Name: 2-Hydroxyaclacinomycin M
RN: 80839-99-2
InChIKey: YIQXQIBKRXRACQ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C42-H55-N-O16

Molecular Weight

  • 829.888
 
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Names and Synonyms

Results Name

  • 2-Hydroxyaclacinomycin M

Synonym

  • 2-Hydroxyaclacinomycin M

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-4-O-((2S-(2-alpha,5-alpha,6-beta))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-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

  • 80839-99-2

System Generated Number

  • 0080839992

Structure Descriptors

InChI

1S/C42H55NO16/c1-8-42(52)16-28(33-21(35(42)41(51)53-7)13-23-34(38(33)50)37(49)32-22(36(23)48)11-20(44)12-26(32)46)57-30-14-24(43(5)6)39(18(3)55-30)59-31-15-27(47)40(19(4)56-31)58-29-10-9-25(45)17(2)54-29/h11-13,17-19,24-25,27-31,35,39-40,44-47,50,52H,8-10,14-16H2,1-7H3

InChIKey

YIQXQIBKRXRACQ-UHFFFAOYSA-N

Smiles

C1[C@@H](O[C@@H]([C@@H](C1)O)C)O[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(=O)c4c(O)cc(cc4C(=O)c3cc2[C@@H]([C@@](C1)(O)CC)C(=O)OC)O)O)N(C)C)O