Analyte Name

3,4,5-Tris(pivaloxy) 6-(tert-Butyldimethylsilyl)methyloxy Canagliflozin

Molecular Formula

C45 H63 F O8 S Si

Molecular Weight

811.126

Accurate Mass

810.4

SMILES

Cc1ccc(cc1Cc2ccc(s2)c3ccc(F)cc3)[C@@H]4O[C@H](CO[Si](C)(C)C(C)(C)C)[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/C45H63FO8SSi/c1-27-16-17-29(24-30(27)25-32-22-23-34(55-32)28-18-20-31(46)21-19-28)35-37(53-40(48)43(5,6)7)38(54-41(49)44(8,9)10)36(52-39(47)42(2,3)4)33(51-35)26-50-56(14,15)45(11,12)13/h16-24,33,35-38H,25-26H2,1-15H3/t33-,35+,36-,37+,38+/m1/s1

IUPAC

[(2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(2,2-dimethylpropanoyloxy)-6-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxan-3-yl] 2,2-dimethylpropanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat