Analyte Name

Desonide-21-aldehyde-13C3

Molecular Formula

13C3 C21 H30 O6

Molecular Weight

417.469

Accurate Mass

417.214

SMILES

[13CH3][13C]1([13CH3])OC2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)C=O

InChI

InChI=1S/C24H30O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,12,15-17,19-20,27H,5-6,10-11H2,1-4H3/t15-,16-,17-,19?,20+,22-,23-,24+/m0/s1/i1+1,2+1,21+1

IUPAC

2-[(1S,2S,8S,9S,11S,12S,13R)-11-hydroxy-9,13-dimethyl-6,6-di((113C)methyl)-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoacetaldehyde

Unlabelled CAS Number

57171-18-3

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat