Analyte Name

17-Hydroxy-21-iodo-pregna-1,4-diene-3,11,20-trione

CAS Number

55786-16-8

Molecular Formula

C21 H25 I O4

Molecular Weight

468.325

Accurate Mass

468.08

SMILES

C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CI

InChI

InChI=1S/C21H25IO4/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1

IUPAC

(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-iodoacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat