Analyte Name

21-Acetoxy-21-deschloro Halobetasol 17-Propionate

CAS Number

79861-38-4

Molecular Formula

C27 H34 F2 O7

Molecular Weight

508.551

Accurate Mass

508.227

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(F)[C@@H](O)C[C@]12C)C(=O)COC(=O)C

InChI

InChI=1S/C27H34F2O7/c1-6-23(34)36-27(22(33)13-35-15(3)30)14(2)9-17-18-11-20(28)19-10-16(31)7-8-24(19,4)26(18,29)21(32)12-25(17,27)5/h7-8,10,14,17-18,20-21,32H,6,9,11-13H2,1-5H3/t14-,17-,18-,20-,21-,24-,25-,26-,27-/m0/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat