Analyte Name

9alpha-Chloro-9-desfluoro Halobetasol 17-Propionate

CAS Number

66852-61-7

Molecular Formula

C25H31Cl2FO5

Molecular Weight

501.42

Accurate Mass

500.1533

SMILES

CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C)C(=O)CCl

InChI

InChI=1S/C25H31Cl2FO5/c1-5-21(32)33-25(20(31)12-26)13(2)8-15-16-10-18(28)17-9-14(29)6-7-22(17,3)24(16,27)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15-,16-,18-,19-,22-,23-,24-,25-/m0/s1

IUPAC

[(6S,8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-17-(2-chloroacetyl)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat