Analyte Name

N-Demethyl Roxithromycin-d7

Molecular Formula

C40H67D7N2O15

Molecular Weight

830.07

Accurate Mass

829.55

SMILES

O=C([C@H](C)[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@](C)(OC)C1)[C@H](C)[C@@H](O[C@H]2[C@H](O)[C@@H](NC)C[C@@H](C)O2)[C@@](O)(C)C[C@H]/3C)O[C@H](CC)[C@](O)(C)[C@H](O)[C@@H](C)C3=N\OCOC([2H])([2H])C([2H])([2H])OC([2H])([2H])[2H]

InChI

InChI=1S/C40H74N2O15/c1-14-28-40(10,48)33(44)23(4)30(42-52-20-51-16-15-49-12)21(2)18-38(8,47)35(57-37-31(43)27(41-11)17-22(3)53-37)24(5)32(25(6)36(46)55-28)56-29-19-39(9,50-13)34(45)26(7)54-29/h21-29,31-35,37,41,43-45,47-48H,14-20H2,1-13H3/b42-30+/t21?,22?,23?,24?,25?,26?,27-,28+,29-,31+,32-,33+,34-,35+,37-,38?,39?,40?/m0/s1/i12D3,15D2,16D2

IUPAC

(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R,E)-14-ethyl-7,12,13-trihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-6-(((2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)tetrahydro-2H-pyran-2-yl)oxy)-10-(((2-(methoxy-d3)ethoxy-1,1,2,2-d4)methoxy)imino)-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one

Unlabelled CAS Number

118267-18-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat