Ibuprofen Sorbitol Ester (Mixture of Diastereomers)

Analyte Name

Ibuprofen Sorbitol Ester (mixture of diastereomers)

Molecular Formula

C19 H30 O7

Molecular Weight

370.2

Accurate Mass

370.44

SMILES

CC(C)Cc1ccc(cc1)C(C)C(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.CC(C)Cc2ccc(cc2)C(C)C(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

InChI

InChI=1S/2C19H30O7/c2*1-11(2)8-13-4-6-14(7-5-13)12(3)19(25)26-10-16(22)18(24)17(23)15(21)9-20/h2*4-7,11-12,15-18,20-24H,8-10H2,1-3H3/t12?,15-,16+,17+,18+;12?,15-,16+,17-,18-/m01/s1

IUPAC

[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 2-(4-isobutylphenyl)propanoate;[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl] 2-(4-isobutylphenyl)propanoate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Ibuprofen

Purity

>95% (HPLC)