Analyte Name

6alpha-Methyl Prednisolone 21-Sulfate Ester

CAS Number

1127921-80-5

Molecular Formula

C22 H30 O8 S

Molecular Weight

454.534

Accurate Mass

454.166

SMILES

C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COS(=O)(=O)O)[C@@]3(C)C[C@H](O)[C@H]2[C@@]4(C)C=CC(=O)C=C14

InChI

InChI=1S/C22H30O8S/c1-12-8-14-15-5-7-22(26,18(25)11-30-31(27,28)29)21(15,3)10-17(24)19(14)20(2)6-4-13(23)9-16(12)20/h4,6,9,12,14-15,17,19,24,26H,5,7-8,10-11H2,1-3H3,(H,27,28,29)/t12-,14-,15-,17-,19-,20-,21-,22-/m0/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat