Analyte Name

16,21-Didehydro 17-Dehydroxy Prednisone

Molecular Formula

C21 H22 O4

Molecular Weight

338.397

Accurate Mass

338.152

SMILES

C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC=C2C(=O)C=O

InChI

InChI=1S/C21H22O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h6-9,11,14-15,19H,3-5,10H2,1-2H3/t14-,15-,19+,20-,21-/m0/s1

IUPAC

2-[(8S,9S,10R,13S,14S)-10,13-dimethyl-3,11-dioxo-7,8,9,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat