Analyte Name

6alpha,11beta,16alpha,17alpha-(6'alpha,11'beta,16'alpha,17'alpha)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-,S,S'-methylene ester, (9CI) androsta-1,4-diene-17-carbothioic acid

CAS Number

192191-51-8

Molecular Formula

C49 H60 F4 O10 S2

Molecular Weight

949.118

Accurate Mass

948.356

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)SCSC(=O)C5(OC(=O)CC)[C@H](C)C[C@H]6[C@@H]7C[C@H](F)C8=CC(=O)C=C[C@]8(C)[C@@]7(F)[C@@H](O)C[C@]56C

InChI

InChI=1S/C49H60F4O10S2/c1-9-38(58)62-48(24(3)15-28-30-19-34(50)32-17-26(54)11-13-42(32,5)46(30,52)36(56)21-44(28,48)7)40(60)64-23-65-41(61)49(63-39(59)10-2)25(4)16-29-31-20-35(51)33-18-27(55)12-14-43(33,6)47(31,53)37(57)22-45(29,49)8/h11-14,17-18,24-25,28-31,34-37,56-57H,9-10,15-16,19-23H2,1-8H3/t24-,25-,28+,29+,30+,31+,34+,35+,36+,37+,42+,43+,44+,45+,46+,47+,48+,49?/m1/s1

IUPAC

[(6S,8S,9R,10S,11S,13S,14S,16R)-17-[[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbonyl]sulfanylmethylsulfanylcarbonyl]-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