Analyte Name

9-Chloro-6Alpha-fluoro-17Beta-(((fluoromethyl)sulfanyl)carbonyl)-11Beta-hydroxy-16Alpha-methyl-3-oxoandrosta-1,4-dien-17Alpha-yl furan-2-carboxylate

CAS Number

785806-96-4

Molecular Formula

C27 H29 Cl F2 O6 S

Molecular Weight

555.03

Accurate Mass

554.134

SMILES

C[C@@H]1C[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@]2(C)[C@@]1(OC(=O)c5occc5)C(=O)SCF

InChI

InChI=1S/C27H29ClF2O6S/c1-14-9-16-17-11-19(30)18-10-15(31)6-7-24(18,2)26(17,28)21(32)12-25(16,3)27(14,23(34)37-13-29)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat