21-Desacetyl Difluprednate-d3

Analyte Name

21-Desacetyl Difluprednate-d3

Molecular Formula

C25 D3 H29 F2 O6

Molecular Weight

469.533

Accurate Mass

469.236

SMILES

[2H]C([2H])([2H])CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO

InChI

InChI=1S/C25H32F2O6/c1-4-5-21(32)33-24(20(31)13-28)9-7-15-16-11-18(26)17-10-14(29)6-8-22(17,2)25(16,27)19(30)12-23(15,24)3/h6,8,10,15-16,18-19,28,30H,4-5,7,9,11-13H2,1-3H3/t15-,16-,18-,19-,22-,23-,24-,25-/m0/s1/i1D3

IUPAC

[(6S,8S,9R,10S,11S,13S,14S,17R)-6,9-difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4,4,4-trideuteriobutanoate

Unlabelled CAS Number

23640-96-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat