Analyte Name

Prednisolone 21-Formate

CAS Number

2141-22-2

Molecular Formula

C22H28O6

Molecular Weight

388.45

Accurate Mass

388.1886

SMILES

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

InChI

InChI=1S/C22H28O6/c1-20-7-5-14(24)9-13(20)3-4-15-16-6-8-22(27,18(26)11-28-12-23)21(16,2)10-17(25)19(15)20/h5,7,9,12,15-17,19,25,27H,3-4,6,8,10-11H2,1-2H3/t15-,16-,17-,19+,20-,21-,22-/m0/s1

IUPAC

[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] formate

Country of Origin

CANADA

Product Format

Neat

API Family

Prednisolone