Analyte Name

Dehydroxy Pivaloyl Canagliflozin Dimer

Molecular Formula

C83 H104 F2 O17 S2

Molecular Weight

1475.831

Accurate Mass

1474.668

SMILES

Cc1ccc(cc1Cc2ccc(s2)c3ccc(F)cc3)[C@@H]4O[C@H](CO[C@]5(O[C@H](COC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]5OC(=O)C(C)(C)C)c6ccc(C)c(Cc7ccc(s7)c8ccc(F)cc8)c6)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]4OC(=O)C(C)(C)C

InChI

InChI=1S/C83H104F2O17S2/c1-46-24-26-50(40-51(46)42-56-36-38-60(103-56)48-27-32-54(84)33-28-48)62-65(98-72(89)79(12,13)14)66(99-73(90)80(15,16)17)63(96-70(87)77(6,7)8)58(95-62)45-94-83(53-31-25-47(2)52(41-53)43-57-37-39-61(104-57)49-29-34-55(85)35-30-49)68(101-75(92)82(21,22)23)67(100-74(91)81(18,19)20)64(97-71(88)78(9,10)11)59(102-83)44-93-69(86)76(3,4)5/h24-41,58-59,62-68H,42-45H2,1-23H3/t58-,59-,62+,63-,64-,65+,66+,67+,68-,83+/m1/s1

IUPAC

[(2R,3R,4S,5R,6S)-3,4,5-tris(2,2-dimethylpropanoyloxy)-6-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-[[(2R,3R,4R,5S,6S)-3,4,5-tris(2,2-dimethylpropanoyloxy)-6-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxan-2-yl]methoxy]oxan-2-yl]methyl 2,2-dimethylpropanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat