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Substance Name: 6-O-Methylaclacinomycin
RN: 76264-92-1
InChIKey: MZKGIAGYKSRHPV-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

  • 6-O-Methylaclacinomycin

Synonym

  • 6-O-Methylaclacinomycin A

Systematic Name

  • 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,7-dihydroxy-6,11-dioxo-2-ethyl-5-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))-

Registry Numbers

CAS Registry Number

  • 76264-92-1

System Generated Number

  • 0076264921

Structure Descriptors

InChI

1S/C43H55NO15/c1-9-43(51)18-29(34-23(36(43)42(50)53-8)15-24-35(41(34)52-7)38(49)33-22(37(24)48)11-10-12-27(33)46)57-31-16-25(44(5)6)39(20(3)55-31)59-32-17-28(47)40(21(4)56-32)58-30-14-13-26(45)19(2)54-30/h10-12,15,19-21,25,28-32,36,39-40,46-47,51H,9,13-14,16-18H2,1-8H3

InChIKey

MZKGIAGYKSRHPV-UHFFFAOYSA-N

Smiles

C1[C@@H](O[C@@H]2[C@@H](C[C@@H](O[C@@H]2C)O[C@@H]2[C@@H](N(C)C)C[C@@H](O[C@@H]2C)O[C@@H]2c3c(OC)c4C(=O)c5c(cccc5C(=O)c4cc3[C@@H]([C@@](C2)(O)CC)C(=O)OC)O)O)O[C@@H](C)C(=O)C1