Analyte Name

21-Dehydro-6alpha-chloro Prednisone

Molecular Formula

C21 H23 Cl O5

Molecular Weight

390.857

Accurate Mass

390.123

SMILES

C[C@]12CC(=O)[C@H]3[C@@H](C[C@H](Cl)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)C=O

InChI

InChI=1S/C21H23ClO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7,10,12-13,15,18,27H,4,6,8-9H2,1-2H3/t12-,13-,15-,18+,19-,20-,21-/m0/s1

IUPAC

2-[(6S,8S,9S,10R,13S,14S,17R)-6-chloro-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat