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7-[9-[[9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17beta

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For Research Use Only | Not For Clinical Use
CATAPS00582
SynonymsFulvestrant Imp. C (EP), 7ξ-[9-[[9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17β-diol
IUPAC Name(8R,9S,13S,14S,17S)-13-methyl-7-[9-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonylsulfinyl]nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Weight781.07
Molecular FormulaC41H65F5O4S2
Canonical SMILESC[C@]12CC[C@H]3[C@@H](C(CCCCCCCCCS(=O)CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
InChIInChI=1S/C41H65F5O4S2/c1-39-24-22-35-34-19-18-33(47)30-32(34)29-31(38(35)36(39)20-21-37(39)48)17-12-8-4-2-5-9-13-25-51(49)26-14-10-6-3-7-11-15-27-52(50)28-16-23-40(42,43)41(44,45)46/h18-19,30-31,35-38,47-48H,2-17,20-29H2,1H3/t31?,35-,36+,37+,38-,39+,51?,52?/m1/s1
Accurate Mass780.4244
FormatNeat
TypeImpurity
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