Analyte Name

N-Nitroso Desmethyl Erythromycin Ethylsuccinate

Molecular Formula

C42H72N2O17

Molecular Weight

877.04

Accurate Mass

876.48

SMILES

O=C1O[C@@H]([C@](C)([C@@H]([C@@H](C)C([C@@H](C[C@](C)([C@@H](C([C@@H]([C@H]1C)O[C@@H]2O[C@H]([C@@H]([C@@](C)(C2)OC)O)C)C)OC3O[C@@H](C[C@@H]([C@H]3OC(CCC(OCC)=O)=O)N(N=O)C)C)O)C)=O)O)O)CC

InChI

InChI=1S/C42H72N2O17/c1-14-28-42(11,52)35(48)23(5)32(47)21(3)19-40(9,51)37(24(6)33(25(7)38(50)58-28)60-31-20-41(10,54-13)36(49)26(8)57-31)61-39-34(27(44(12)43-53)18-22(4)56-39)59-30(46)17-16-29(45)55-15-2/h21-28,31,33-37,39,48-49,51-52H,14-20H2,1-13H3/t21-,22-,23+,24?,25-,26+,27+,28-,31+,33+,34-,35-,36+,37-,39?,40-,41-,42-/m1/s1

IUPAC

ethyl ((3R,4S,6R)-2-(((3R,4S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl)oxy)-6-methyl-4-(methyl(nitroso)amino)tetrahydro-2H-pyran-3-yl) succinate

Country of Origin

CANADA

Product Format

Neat