Analyte Name

Clocortolone-13C,D5

Molecular Formula

13C C21 D5 H23 Cl F O4

Molecular Weight

416.93

Accurate Mass

416.201

SMILES

[2H][13C]([2H])([2H])[C@H]1[C@H](C(=O)CO)[C@@]2(C)C[C@H](O)[C@@]3(Cl)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]2C1([2H])[2H]

InChI

InChI=1S/C22H28ClFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-21(15,3)22(14,23)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19-,20+,21+,22+/m1/s1/i1+1D3,6D2

IUPAC

(6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-chloro-15,15-dideuterio-6-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-16-(trideuterio(113C)methyl)-6,7,8,11,12,14,16,17-octahydrocyclopenta[a]phenanthren-3-one

Unlabelled CAS Number

4828-27-7

SIL Type

Carbon, Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat