Analyte Name

Triamcinolone Hexacetonide-d9

Molecular Formula

C30 D9 H32 F O7

Molecular Weight

541.696

Accurate Mass

541.34

SMILES

[2H]C([2H])([2H])C(CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]23C)(C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1/i1D3,2D3,3D3

IUPAC

[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 4,4,4-trideuterio-3,3-bis(trideuteriomethyl)butanoate

Unlabelled CAS Number

5611-51-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat