2,3,4,6-Tetra-O-acetyl-Beta-D-glucopyranosyl Ethylxanthate-13C6

Analyte Name

2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl Ethylxanthate-13C6

Molecular Formula

C11¹³C6H24O10S2

Molecular Weight

458.45

Accurate Mass

458.1

SMILES

[H][13C@]1(OC(C)=O)[13C@@](OC(C)=O)([H])[13C@]([13C]([H])([H])OC(C)=O)([H])O[13C@](SC(OCC)=S)([H])[13C@]1([H])OC(C)=O

InChI

InChI=1S/C17H24O10S2/c1-6-22-17(28)29-16-15(26-11(5)21)14(25-10(4)20)13(24-9(3)19)12(27-16)7-23-8(2)18/h12-16H,6-7H2,1-5H3/t12-,13-,14+,15-,16+/m1/s1/i7+1,12+1,13+1,14+1,15+1,16+1

IUPAC

(2R,3R,4S,5R,6S)-2-(acetoxymethyl-13C)-6-((ethoxycarbonothioyl)thio)tetrahydro-2H-pyran-3,4,5-triyl-2,3,4,5,6-13C5 triacetate

Unlabelled CAS Number

13639-54-8

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat