6-Acetoxymethyl-3,4,5-triacetoxy-6-oxo Dapagliflozin

Analyte Name

6-Acetoxymethyl-3,4,5-triacetoxy-6-oxo Dapagliflozin

Molecular Formula

C41 H47 Cl O19

Molecular Weight

879.254

Accurate Mass

878.24

SMILES

CCOc1ccc(Cc2cc(ccc2Cl)[C@]3(OC[C@@H]4OC(=O)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]4OC(=O)C)O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)cc1

InChI

InChI=1S/C41H47ClO19/c1-9-51-30-13-10-27(11-14-30)16-28-17-29(12-15-31(28)42)41(53-19-32-34(54-21(3)44)36(56-23(5)46)38(40(50)60-32)58-25(7)48)39(59-26(8)49)37(57-24(6)47)35(55-22(4)45)33(61-41)18-52-20(2)43/h10-15,17,32-39H,9,16,18-19H2,1-8H3/t32-,33+,34+,35+,36-,37-,38+,39+,41-/m0/s1

IUPAC

[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-[[(2S,3R,4S,5R)-3,4,5-triacetyloxy-6-oxooxan-2-yl]methoxy]oxan-2-yl]methyl acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat