12-O-Methyl Clarithromycin-d3

Analyte Name

12-O-Methyl Clarithromycin-d3

Molecular Formula

C39 D3 H68 N O13

Molecular Weight

764.998

Accurate Mass

764.511

SMILES

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

InChI

InChI=1S/C39H71NO13/c1-16-27-39(10,48-15)32(43)22(4)29(41)20(2)18-38(9,47-14)34(53-36-30(42)26(40(11)12)17-21(3)49-36)23(5)31(24(6)35(45)51-27)52-28-19-37(8,46-13)33(44)25(7)50-28/h20-28,30-34,36,42-44H,16-19H2,1-15H3/t20-,21-,22+,23+,24-,25+,26+,27-,28+,30-,31+,32-,33+,34-,36+,37-,38-,39-/m1/s1/i15D3

IUPAC

(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12-hydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-13-(trideuteriomethoxy)-oxacyclotetradecane-2,10-dione

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat