11Beta,16Alpha,17Alpha,21-Tetrahydroxypregna-1,4-diene-3,20-oxime

Analyte Name

11beta,16alpha,17alpha,21-Tetrahydroxypregna-1,4-diene-3,20-oxime

Molecular Formula

C21 H30 N2 O6

Molecular Weight

406.473

Accurate Mass

406.21

SMILES

C[C@]12CC(O)[C@H]3[C@@H](CCC4=C\C(=N\O)\C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)\C(=N\O)\CO

InChI

InChI=1S/C21H30N2O6/c1-19-6-5-12(22-28)7-11(19)3-4-13-14-8-17(26)21(27,16(10-24)23-29)20(14,2)9-15(25)18(13)19/h5-7,13-15,17-18,24-29H,3-4,8-10H2,1-2H3/b22-12+,23-16+/t13-,14-,15?,17+,18+,19-,20-,21+/m0/s1

IUPAC

(3E,8S,9S,10R,13S,14S,16R,17R)-17-[(E)-N-hydroxy-C-(hydroxymethyl)carbonimidoyl]-3-hydroxyimino-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-11,16,17-triol

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat