Methyl 2,3,4-Tri-O-acetyl-beta-d-glucuronyl benzenthiosulfonate

Analyte Name

Methyl 2,3,4-Tri-O-acetyl-beta-d-glucuronyl benzenthiosulfonate

Molecular Formula

C19 H22 O11 S2

Molecular Weight

490.501

Accurate Mass

490.06

SMILES

CC(=O)O[C@H]1[C@@H](O[C@@H]([C@@H](OC(=O)C)[C@@H]1OC(=O)C)C(=O)O)SS(=O)(=O)c2ccc(C)cc2

InChI

InChI=1S/C19H22O11S2/c1-9-5-7-13(8-6-9)32(25,26)31-19-17(29-12(4)22)15(28-11(3)21)14(27-10(2)20)16(30-19)18(23)24/h5-8,14-17,19H,1-4H3,(H,23,24)/t14-,15-,16-,17+,19-/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-methylphenyl)sulfonylsulfanyloxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat