(11Beta,16Alpha)-9-Fluoro-11,16,17,21-tetrahydroxy-pregna-1,4-diene-3,20-dione-d2 3,20-Dioxime

Analyte Name

(11beta,16alpha)-9-Fluoro-11,16,17,21-tetrahydroxy-pregna-1,4-diene-3,20-dione-d2 3,20-Dioxime

Molecular Formula

C21H27D2FN2O6

Molecular Weight

426.48

Accurate Mass

426.21

SMILES

O[C@@]1([2H])[C@@H]([2H])[C@@]2(C)[C@@]([H])(C[C@@H](O)[C@]2(O)C(CO)=NO)[C@]3([H])CCC4=CC(C=C[C@]4(C)[C@]31F)=NO

InChI

InChI=1S/C21H29FN2O6/c1-18-6-5-12(23-29)7-11(18)3-4-13-14-8-16(26)21(28,15(10-25)24-30)19(14,2)9-17(27)20(13,18)22/h5-7,13-14,16-17,25-30H,3-4,8-10H2,1-2H3/b23-12+,24-15+/t13-,14-,16+,17-,18?,19?,20-,21+/m0/s1/i9D,17D/t9-,13+,14+,16-,17+,18?,19?,20+,21-/m1

IUPAC

(8S,9R,10S,11S,12S,13S,14S,16R,17R,E)-9-fluoro-11,16,17-trihydroxy-17-((E)-2-hydroxy-1-(hydroxyimino)ethyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one-11,12-d2 oxime-11,12-d2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat