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2'-(E)-[17-(5'-(TRIFLUOROMETHYL)-5',6',6',6'-TETRAFLUOROHEX-2'-EN-1'-YL)-ESTRA-3,17-BETA-DIOL]
SpectraBase Compound ID LkEZeZ5MgPg
InChI InChI=1S/C25H29F7O2/c1-21-12-8-18-17-7-5-16(33)14-15(17)4-6-19(18)20(21)9-13-22(21,34)10-2-3-11-23(26,24(27,28)29)25(30,31)32/h2-3,5,7,14,18-20,33-34H,4,6,8-13H2,1H3/b3-2+
InChIKey KYFXOCZNTKCWTE-NSCUHMNNSA-N
Mol Weight 494.49 g/mol
Molecular Formula C25H29F7O2
Exact Mass 494.205577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JztdbZKauk8
Name 2'-(E)-[17-(5'-(TRIFLUOROMETHYL)-5',6',6',6'-TETRAFLUOROHEX-2'-EN-1'-YL)-ESTRA-3,17-BETA-DIOL]
Compound Number 1 1C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H29F7O2
InChI InChI=1S/C25H29F7O2/c1-21-12-8-18-17-7-5-16(33)14-15(17)4-6-19(18)20(21)9-13-22(21,34)10-2-3-11-23(26,24(27,28)29)25(30,31)32/h2-3,5,7,14,18-20,33-34H,4,6,8-13H2,1H3/b3-2+
InChIKey KYFXOCZNTKCWTE-NSCUHMNNSA-N
Literature Reference Author B.EIGNEROVA,D.SEDLAK,M.DRACINSKY,P.BARTUNEK,M.KOTORA
Literature Reference Citation J.MED.CHEM.,53,6947(2010)
Molecular Weight 494.493 g/mol
Solvent CDCl3
Source File Reference UWMZ47520