Analyte Name

(S)-3-(4-(2-Chloro-5-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)benzyl)phenoxy)-4-hydroxybutanoic Acid

CAS Number

1938057-70-5

Molecular Formula

C23 H27 Cl O9

Molecular Weight

482.908

Accurate Mass

482.134

SMILES

OC[C@H](CC(=O)O)Oc1ccc(Cc2cc(ccc2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1

InChI

InChI=1S/C23H27ClO9/c24-17-6-3-13(23-22(31)21(30)20(29)18(11-26)33-23)8-14(17)7-12-1-4-15(5-2-12)32-16(10-25)9-19(27)28/h1-6,8,16,18,20-23,25-26,29-31H,7,9-11H2,(H,27,28)/t16-,18+,20+,21-,22+,23-/m0/s1

IUPAC

(3S)-3-[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenoxy]-4-hydroxybutanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat