Analyte Name

4-Isothiocyanatophenyl alpha-Nigeroside

Molecular Formula

C19H25NO11S

Molecular Weight

475.47

Accurate Mass

475.11

SMILES

OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](OC3=CC=C(N=C=S)C=C3)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChI=1S/C19H25NO11S/c21-5-10-12(23)14(25)15(26)18(29-10)31-17-13(24)11(6-22)30-19(16(17)27)28-9-3-1-8(2-4-9)20-7-32/h1-4,10-19,21-27H,5-6H2/t10-,11-,12-,13-,14+,15-,16-,17+,18-,19+/m1/s1

IUPAC

(2R,3R,4S,5S,6R)-2-(((2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-(4-isothiocyanatophenoxy)tetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat