6-Acetoxymethyl-3,4,5-triacetoxy-6-methoxy Dapagliflozin Dimer

Analyte Name

6-Acetoxymethyl-3,4,5-triacetoxy-6-methoxy Dapagliflozin Dimer

Molecular Formula

C57 H64 Cl2 O20

Molecular Weight

1140.012

Accurate Mass

1138.337

SMILES

CCOc1ccc(Cc2cc(ccc2Cl)[C@]3(OC)O[C@@H](CO[C@]4(O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]4OC(=O)C)c5ccc(Cl)c(Cc6ccc(OCC)cc6)c5)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)cc1

InChI

InChI=1S/C57H64Cl2O20/c1-11-68-44-19-13-38(14-20-44)25-40-27-42(17-23-46(40)58)56(67-10)54(76-36(8)65)52(74-34(6)63)51(73-33(5)62)49(78-56)30-71-57(43-18-24-47(59)41(28-43)26-39-15-21-45(22-16-39)69-12-2)55(77-37(9)66)53(75-35(7)64)50(72-32(4)61)48(79-57)29-70-31(3)60/h13-24,27-28,48-55H,11-12,25-26,29-30H2,1-10H3/t48-,49+,50-,51-,52+,53+,54-,55-,56+,57+/m1/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat