21-Dehydro Dexamethasone Hydrate

Analyte Name

21-Dehydro Dexamethasone monohydrate

Molecular Formula

C22 H27 F O5 . H2 O

Molecular Weight

408.46

Accurate Mass

408.1948

SMILES

O.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@@]1(O)C(=O)C=O

InChI

InChI=1S/C22H27FO5.H2O/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24;/h6-7,9,11-12,15-17,26,28H,4-5,8,10H2,1-3H3;1H2/t12-,15+,16+,17+,19+,20+,21+,22+;/m1./s1

IUPAC

2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-acetaldehyde;hydrate

Alternate CAS Number

Free base: 2964-79-6

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Dexamethasone