Tulathromycin 3-Benzyl Formate

Analyte Name

Tulathromycin 3-Benzyl Formate

Molecular Formula

C49 H85 N3 O14

Molecular Weight

940.211

Accurate Mass

939.603

SMILES

CCCNC[C@]1(O)[C@H](C)O[C@H](C[C@@]1(C)OC)O[C@@H]2[C@@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@@H]3OC(=O)OCc4ccccc4)N(C)C)[C@@](C)(O)C[C@@H](C)CN[C@@H](C)[C@H](O)[C@](C)(O)[C@H](CC)OC(=O)[C@@H]2C

InChI

InChI=1S/C49H85N3O14/c1-15-22-50-28-49(58)34(8)62-38(25-47(49,10)59-14)64-39-31(5)42(46(9,56)24-29(3)26-51-33(7)41(53)48(11,57)37(16-2)63-43(54)32(39)6)66-44-40(36(52(12)13)23-30(4)61-44)65-45(55)60-27-35-20-18-17-19-21-35/h17-21,29-34,36-42,44,50-51,53,56-58H,15-16,22-28H2,1-14H3/t29-,30-,31-,32-,33+,34+,36+,37+,38+,39-,40+,41+,42-,44+,46+,47-,48-,49+/m1/s1

IUPAC

benzyl [(2S,3S,4S,6R)-4-(dimethylamino)-2-[[(2S,3S,4S,5S,8R,10S,11R,12R,13R,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-5-(propylaminomethyl)oxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyloxan-3-yl] carbonate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat