Analyte Name

21-Desacetyl-21-isovaleroyl-d3 Difluprednate

Molecular Formula

C30 D3 H37 F2 O7

Molecular Weight

553.65

Accurate Mass

553.293

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)COC(=O)CC(C)C

InChI

InChI=1S/C30H40F2O7/c1-6-7-25(36)39-29(24(35)16-38-26(37)12-17(2)3)11-9-19-20-14-22(31)21-13-18(33)8-10-27(21,4)30(20,32)23(34)15-28(19,29)5/h8,10,13,17,19-20,22-23,34H,6-7,9,11-12,14-16H2,1-5H3/t19-,20-,22-,23-,27-,28-,29-,30-/m0/s1/i1D3

IUPAC

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

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat