Analyte Name

Halobetasol-d3

Molecular Formula

C22D3H24ClF2O4

Molecular Weight

431.92

Accurate Mass

431.38

SMILES

O=C1C=C[C@@]2(C)C([C@@H](F)C[C@]3([H])[C@]2(F)[C@](O)([2H])C([2H])([2H])[C@@]4(C)[C@@]3([H])C[C@H](C)[C@]4(C(CCl)=O)O)=C1

InChI

InChI=1S/C22H27ClF2O4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22+/m0/s1/i9D2,17D

IUPAC

(6S,8S,9R,10S,11S,13S,14S,16S,17S)-17-(2-chloroacetyl)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one-11,12,12-d3

Unlabelled CAS Number

98651-66-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive small molecule; Stable Isotope Labelled; API

Product Format

Neat