Analyte Name

Dehydroxy Tetrapivaloyl Canagliflozin

Molecular Formula

C44H57FO10S

Molecular Weight

796.99

Accurate Mass

796.37

SMILES

FC1=CC=C(C2=CC=C(S2)CC3=C(C=CC([C@]4([C@@H]([C@H]([C@@H]([C@H](O4)COC(C(C)(C)C)=O)OC(C(C)(C)C)=O)OC(C(C)(C)C)=O)OC(C(C)(C)C)=O)O)=C3)C)C=C1

InChI

InChI=1S/C44H57FO10S/c1-25-14-17-28(22-27(25)23-30-20-21-32(56-30)26-15-18-29(45)19-16-26)44(50)35(54-39(49)43(11,12)13)34(53-38(48)42(8,9)10)33(52-37(47)41(5,6)7)31(55-44)24-51-36(46)40(2,3)4/h14-22,31,33-35,50H,23-24H2,1-13H3/t31-,33-,34+,35-,44+/m1/s1

IUPAC

(2S,3R,4S,5R,6R)-2-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-2-hydroxy-6-((pivaloyloxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2-dimethylpropanoate)

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat