Chloramphenicol 3-O-Beta-D-Glucuronide-3,2’,3’,4’-tetra-O-acetate Methyl Ester

Analyte Name

Chloramphenicol 3-O-beta-D-Glucuronide-3,2’,3’,4’-tetra-O-acetate Methyl Ester

Molecular Formula

C26H30Cl2N2O15

Molecular Weight

681.43

Accurate Mass

680.1

SMILES

ClC(Cl)C(N[C@H](CO[C@@H]1O[C@H](C(OC)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)[C@H](OC(C)=O)C2=CC=C([N+]([O-])=O)C=C2)=O

InChI

InChI=1S/C26H30Cl2N2O15/c1-11(31)41-18(15-6-8-16(9-7-15)30(37)38)17(29-24(35)23(27)28)10-40-26-22(44-14(4)34)20(43-13(3)33)19(42-12(2)32)21(45-26)25(36)39-5/h6-9,17-23,26H,10H2,1-5H3,(H,29,35)/t17-,18-,19+,20+,21+,22-,26-/m1/s1

IUPAC

(2R,3R,4S,5S,6S)-2-((2R,3R)-3-acetoxy-2-(2,2-dichloroacetamido)-3-(4-nitrophenyl)propoxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat