Analyte Name

N-Demethyl Erythromycin A-d7

Molecular Formula

C36 D7 H58 N O13

Molecular Weight

726.943

Accurate Mass

726.49

SMILES

[2H]C([2H])([2H])N[C@@]1([2H])C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@]([2H])(O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@]([2H])(O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@]1([2H])O

InChI

InChI=1S/C36H65NO13/c1-13-24-36(10,44)29(40)19(4)26(38)17(2)15-34(8,43)31(50-33-27(39)23(37-11)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-35(9,45-12)30(41)22(7)47-25/h17-25,27-31,33,37,39-41,43-44H,13-16H2,1-12H3/t17-,18-,19+,20+,21-,22+,23+,24-,25+,27-,28+,29-,30+,31-,33+,34-,35-,36-/m1/s1/i11D3,23D,27D,29D,30D

IUPAC

(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-12-deuterio-4-[(2R,4R,5S,6S)-5-deuterio-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3,4-dideuterio-3-hydroxy-6-methyl-4-(trideuteriomethylamino)oxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

Unlabelled CAS Number

992-62-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat