Gamithromycin-d4 (Major)

Analyte Name

Gamithromycin-d4

Molecular Formula

C40H72D4N2O12

Molecular Weight

781.07

Accurate Mass

780.56

SMILES

O[C@]([C@H](O[C@H]1[C@H](O)[C@@H](N(C)C)C[C@@H](C)O1)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@](OC)(C)C2)[C@H]3C)(C)C[C@@H](C)N(CC([H])([2H])C([2H])([2H])[2H])C[C@H](C)[C@@H](O)[C@@](O)(C)[C@@H](CC)OC3=O

InChI

InChI=1S/C40H76N2O12/c1-15-17-42-21-22(3)33(44)40(11,48)29(16-2)52-36(46)26(7)32(53-30-20-39(10,49-14)34(45)27(8)51-30)25(6)35(38(9,47)19-23(42)4)54-37-31(43)28(41(12)13)18-24(5)50-37/h22-35,37,43-45,47-48H,15-21H2,1-14H3/t22-,23+,24+,25-,26+,27-,28-,29+,30-,31+,32-,33+,34-,35+,37-,38+,39+,40+/m0/s1/i1D3,15D/t15?,22-,23+,24+,25-,26+,27-,28-,29+,30-,31+,32-,33+,34-,35+,37-,38+,39+,40+

IUPAC

(2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-11-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-ethyl-3,4,10-trihydroxy-13-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,5,8,10,12,14-hexamethyl-7-(propyl-2,2,3,3,3-d5)-1-oxa-7-azacyclopentadecan-15-one

Unlabelled CAS Number

14535-72-9

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

Purity

>95% (HPLC)