Triamcinolone Acetonide-d7 (major)

Analyte Name

Triamcinolone Acetonide-d7

Molecular Formula

C24 H24 D7 F O6

Molecular Weight

441.54088

Accurate Mass

441.2544

SMILES

[2H]C(O)C(=O)[C@@]12OC(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/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1/i1D3,2D3,12D/t12?,15-,16-,17-,19+,21-,22-,23-,24+

IUPAC

(1S,2S,4R,8S,9S,11S,12R,13S)-8-(2-deuterio-2-hydroxy-acetyl)-12-fluoro-11-hydroxy-9,13-dimethyl-6,6-bis(trideuteriomethyl)-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one

Alternate CAS Number

Triamcinolone Acetonide-d6: 352431-33-5

Unlabelled CAS Number

76-25-5

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

Triamcinolone Acetonide; Triamcinolone

Purity

>95% (HPLC)