Analyte Name

O-Tetrahydropyranyl Lubiprostone

CAS Number

876068-08-5

Molecular Formula

C25 H40 F2 O6

Molecular Weight

474.578

Accurate Mass

474.279

SMILES

CCCCC(F)(F)C(=O)CC[C@@H]1[C@@H](CCCCCCC(=O)O)C(=O)C[C@H]1OC2CCCCO2

InChI

InChI=1S/C25H40F2O6/c1-2-3-15-25(26,27)22(29)14-13-19-18(10-6-4-5-7-11-23(30)31)20(28)17-21(19)33-24-12-8-9-16-32-24/h18-19,21,24H,2-17H2,1H3,(H,30,31)/t18-,19-,21-,24?/m1/s1

IUPAC

7-[(1R,2R,3R)-2-(4,4-difluoro-3-oxooctyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]heptanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat