Analyte Name

Desoximetasone 21-Glucuronide

Molecular Formula

C28 H37 F O10

Molecular Weight

552.58

Accurate Mass

552.2371

SMILES

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O

InChI

InChI=1S/C28H37FO10/c1-12-8-16-15-5-4-13-9-14(30)6-7-27(13,3)28(15,29)18(32)10-26(16,2)19(12)17(31)11-38-25-22(35)20(33)21(34)23(39-25)24(36)37/h6-7,9,12,15-16,18-23,25,32-35H,4-5,8,10-11H2,1-3H3,(H,36,37)/t12-,15+,16+,18+,19-,20+,21+,22-,23+,25-,26+,27+,28+/m1/s1

IUPAC

(2S,3S,4S,5R,6R)-6-[2-[(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat