Analyte Name

17-Hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-,(7alpha,17beta) estr-4-en-3-one

CAS Number

1334316-46-9

Molecular Formula

C32 H49 F5 O3 S

Molecular Weight

608.787

Accurate Mass

608.332

SMILES

C[C@]12CCC3C4CCC(=O)C=C4C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CC[C@@H]2O

InChI

InChI=1S/C32H49F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h21-22,25-29,39H,2-20H2,1H3/t22-,25?,26?,27?,28+,29?,30+,41?/m1/s1

IUPAC

(7R,13S,17S)-17-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat