Analyte Name

17,21-Dihydroxy-9,11-epoxy-16Beta-methyl-pregna-1,4,diene-3,20-dione 21-Phosphate Ester Sodium

Molecular Formula

C22H29O8P.xNa

Molecular Weight

475.42

Accurate Mass

475.14

SMILES

C[C@@]12[C@](C(COP(O)(O)=O)=O)(O)[C@@H](C)C[C@@]1([H])[C@]3([H])CCC4=CC(C=C[C@]4(C)[C@]3(O5)[C@@H]5C2)=O.Na

InChI

InChI=1S/C22H29O8P/c1-12-8-16-15-5-4-13-9-14(23)6-7-19(13,2)22(15)18(30-22)10-20(16,3)21(12,25)17(24)11-29-31(26,27)28/h6-7,9,12,15-16,18,25H,4-5,8,10-11H2,1-3H3,(H2,26,27,28)/t12-,15-,16-,18-,19-,20-,21-,22+/m0/s1

IUPAC

2-((4aS,4bS,5aS,6aS,7R,8S,9aS,9bS)-7-Hydroxy-4a,6a,8-trimethyl-2-oxo-2,4a,5a,6,6a,7,8,9,9a,9b,10,11-dodecahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-7-yl)-2-oxoethyl Dihydrogen phosphate

Country of Origin

CANADA

Product Format

Neat