Analyte Name

Des-tris-hydroxyl Tris(2,2-dimethylpropanoate) Epi-Canagliflozin

CAS Number

1804970-55-5

Molecular Formula

C39 H49 F O8 S

Molecular Weight

696.865

Accurate Mass

696.313

SMILES

Cc1ccc(cc1Cc2ccc(s2)c3ccc(F)cc3)[C@H]4O[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]4O

InChI

InChI=1S/C39H49FO8S/c1-22-11-12-24(19-25(22)20-27-17-18-29(49-27)23-13-15-26(40)16-14-23)31-30(41)33(48-36(44)39(8,9)10)32(47-35(43)38(5,6)7)28(46-31)21-45-34(42)37(2,3)4/h11-19,28,30-33,41H,20-21H2,1-10H3/t28-,30+,31-,32-,33-/m1/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat