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1'-(E)-[17-(4',4',5',5',6',6',6'-HEPTAFLUOROHEX-1'-EN-1'-YL)-ESTRA-3,17-BETA-DIOL]
SpectraBase Compound ID 849EEdP8Y9g
InChI InChI=1S/C24H27F7O2/c1-20-11-7-17-16-6-4-15(32)13-14(16)3-5-18(17)19(20)8-12-21(20,33)9-2-10-22(25,26)23(27,28)24(29,30)31/h2,4,6,9,13,17-19,32-33H,3,5,7-8,10-12H2,1H3/b9-2+
InChIKey QXQSOKYJCXQSQX-XNWCZRBMSA-N
Mol Weight 480.47 g/mol
Molecular Formula C24H27F7O2
Exact Mass 480.189927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AzQP6uB3VSv
Name 1'-(E)-[17-(4',4',5',5',6',6',6'-HEPTAFLUOROHEX-1'-EN-1'-YL)-ESTRA-3,17-BETA-DIOL]
Compound Number 12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H27F7O2
InChI InChI=1S/C24H27F7O2/c1-20-11-7-17-16-6-4-15(32)13-14(16)3-5-18(17)19(20)8-12-21(20,33)9-2-10-22(25,26)23(27,28)24(29,30)31/h2,4,6,9,13,17-19,32-33H,3,5,7-8,10-12H2,1H3/b9-2+
InChIKey QXQSOKYJCXQSQX-XNWCZRBMSA-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 480.466 g/mol
Solvent CDCl3
Source File Reference UWMZ47522