Analyte Name

Prednisone 17, 21-Diacetate

CAS Number

6677-19-6

Molecular Formula

C25H30O7

Molecular Weight

442.5

Accurate Mass

442.1992

SMILES

CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]12C)OC(=O)C

InChI

InChI=1S/C25H30O7/c1-14(26)31-13-21(30)25(32-15(2)27)10-8-19-18-6-5-16-11-17(28)7-9-23(16,3)22(18)20(29)12-24(19,25)4/h7,9,11,18-19,22H,5-6,8,10,12-13H2,1-4H3/t18-,19-,22+,23-,24-,25-/m0/s1

IUPAC

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

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat