Analyte Name

Dexamethasone Glutaric Acid Sodium

Molecular Formula

C27H35FO8.Na

Molecular Weight

529.56

Accurate Mass

529.22

SMILES

C[C@@]12[C@](C[C@H]([C@]2(O)C(COC(CCCC(O)=O)=O)=O)C)([H])[C@@]3([H])[C@@]([C@@]4(C(CC3)=CC(C=C4)=O)C)([C@H](C1)O)F.[Na]

InChI

InChI=1S/C27H35FO8.Na/c1-15-11-19-18-8-7-16-12-17(29)9-10-24(16,2)26(18,28)20(30)13-25(19,3)27(15,35)21(31)14-36-23(34)6-4-5-22(32)33;/h9-10,12,15,18-20,30,35H,4-8,11,13-14H2,1-3H3,(H,32,33);/t15-,18+,19+,20+,24+,25+,26+,27+;/m1./s1

IUPAC

sodium 5-(2-((8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy)-5-oxopentanoate

Alternate CAS Number

Free Form 84297-25-7

Country of Origin

CANADA

Product Format

Neat