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7-ALPHA-PERFLUOROHEXYLESTRADIOL

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7-ALPHA-PERFLUOROHEXYLESTRADIOL
SpectraBase Compound ID 9oqxsTD8CUF
InChI InChI=1S/C24H23F13O2/c1-18-7-6-13-12-3-2-11(38)8-10(12)9-15(17(13)14(18)4-5-16(18)39)19(25,26)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)37/h2-3,8,13-17,38-39H,4-7,9H2,1H3/t13-,14+,15-,16+,17-,18+/m1/s1
InChIKey MIBNKRBHDVDBHG-HTPGKPQGSA-N
Mol Weight 590.43 g/mol
Molecular Formula C24H23F13O2
Exact Mass 590.149046 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ctadCYWOys
Name 7-ALPHA-PERFLUOROHEXYLESTRADIOL
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H23F13O2
InChI InChI=1S/C24H23F13O2/c1-18-7-6-13-12-3-2-11(38)8-10(12)9-15(17(13)14(18)4-5-16(18)39)19(25,26)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)37/h2-3,8,13-17,38-39H,4-7,9H2,1H3/t13-,14+,15-,16+,17-,18+/m1/s1
InChIKey MIBNKRBHDVDBHG-HTPGKPQGSA-N
Literature Reference Author J.C.BLAZEJEWSKI,M.P.WILMSHURST,M.D.POPKIN,C.WAKSELMAN,G.LAUR ENT,D.NONCLERCQ,A.CL
Literature Reference Citation BIOORG.MED.CHEM.,11,335(2003)
Literature Reference DOI 10.1016/S0968-0896(02)00457-1
Solvent ACETONE-D6
Source File Reference UWLU38501