16.alpha.Fluoro-7.alpha.-{9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl}estra-1,3,5(10)-triene-3,17.beta.-diol

SpectraBase Compound ID	Gn2mVFrddh7
InChI	InChI=1S/C32H46F6O2S/c1-30-15-13-25-24-12-11-23(39)19-22(24)18-21(28(25)26(30)20-27(33)29(30)40)10-7-5-3-2-4-6-8-16-41-17-9-14-31(34,35)32(36,37)38/h11-12,19,21,25-29,39-40H,2-10,13-18,20H2,1H3/t21-,25-,26+,27-,28-,29+,30+/m1/s1
InChIKey	YDKOLDSTKRWLRB-BMCNJFQASA-N Google Search
Mol Weight	608.8 g/mol
Molecular Formula	C32H46F6O2S
Exact Mass	608.312271 g/mol

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SpectraBase Spectrum ID	9CJPglcbzD2
Name	16.alpha.Fluoro-7.alpha.-{9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl}estra-1,3,5(10)-triene-3,17.beta.-diol
Alternate Name(s)	(7alpha,16alpha,17beta)-16-fluoro-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfanyl]nonyl}estra-1,3,5(10)-triene-3,17-diol (7R,8R,9S,13S,14S,16R,17R)-16-fluoranyl-13-methyl-7-[9-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfanyl]nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol (7R,8R,9S,13S,14S,16R,17R)-16-fluoro-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol (7R,8R,9S,13S,14S,16R,17R)-16-fluoro-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylthio)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C32H46F6O2S
InChI	InChI=1S/C32H46F6O2S/c1-30-15-13-25-24-12-11-23(39)19-22(24)18-21(28(25)26(30)20-27(33)29(30)40)10-7-5-3-2-4-6-8-16-41-17-9-14-31(34,35)32(36,37)38/h11-12,19,21,25-29,39-40H,2-10,13-18,20H2,1H3/t21-,25-,26+,27-,28-,29+,30+/m1/s1
InChIKey	YDKOLDSTKRWLRB-BMCNJFQASA-N
Molecular Weight	608.768 g/mol
SMILES	Oc1ccc2c(C[C@]([C@]3([C@]4([C@@]([C@]([C@@](C4)(F)[H])(O)[H])(CC[C@]23[H])C)[H])[H])(CCCCCCCCCSCCCC(C(F)(F)F)(F)F)[H])c1
SPLASH	splash10-0a4i-0000149000-7ae229883add6b04e0e0
Source of Spectrum	K-2002-2280-18
Wiley ID	1613175