Analyte Name

Desonide 21-Acetate-13C3

Molecular Formula

13C3 C23 H34 O7

Molecular Weight

461.522

Accurate Mass

461.241

SMILES

[13CH3][13C]1([13CH3])O[C@@H]2C[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)COC(=O)C

InChI

InChI=1S/C26H34O7/c1-14(27)31-13-20(30)26-21(32-23(2,3)33-26)11-18-17-7-6-15-10-16(28)8-9-24(15,4)22(17)19(29)12-25(18,26)5/h8-10,17-19,21-22,29H,6-7,11-13H2,1-5H3/t17-,18-,19-,21+,22+,24-,25-,26+/m0/s1/i2+1,3+1,23+1

IUPAC

[2-[(1S,2S,4R,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-oxoethyl] acetate

Unlabelled CAS Number

25092-25-5

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat