Analyte Name

Triamcinolone Hexacetonide-13CD3

Molecular Formula

C29¹³CH38D3FO7

Molecular Weight

536.65

Accurate Mass

536.31

SMILES

O=C1C=C[C@@]2(C)C(CC[C@]3([H])[C@]2(F)[C@@H](O)C[C@@]4(C)[C@@]3([H])C[C@@H]5[C@]4(OC(C)(C)O5)C(COC(CC(C)([13C]([2H])([2H])[2H])C)=O)=O)=C1

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/i1+1D3

IUPAC

2-((6aS,6bR,7S,8aS,8bS,11aR,12aS,12bS)-6b-fluoro-7-hydroxy-6a,8a,10,10-tetramethyl-4-oxo-1,2,4,6a,6b,7,8,8a,11a,12,12a,12b-dodecahydro-8bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-8b-yl)-2-oxoethyl 3,3-dimethylbutanoate-4-13C-4,4,4-d3

Unlabelled CAS Number

5611-51-8

SIL Type

Carbon, Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat