Analyte Name

Prednisolone Metasulfobenzoate 11 Oxo Derivative

CAS Number

74511-52-7

Molecular Formula

C28 H30 O9 S . Na

Molecular Weight

564.579

Accurate Mass

564.143

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)COC(=O)c5cccc(c5)S(=O)(=O)O[Na]

InChI

InChI=1S/C28H30O9S.Na/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36;/h3-5,8,10,12-13,20-21,24,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36);/q;+1/p-1/t20-,21-,24+,26-,27-,28-;/m0./s1

IUPAC

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

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Analytical Method

HPLC