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7-ALPHA-PERFLUOROHEXYLESTRADIOL-DIACETATE

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7-ALPHA-PERFLUOROHEXYLESTRADIOL-DIACETATE
SpectraBase Compound ID L8e2EJcUi1C
InChI InChI=1S/C28H27F13O4/c1-12(42)44-15-4-5-16-14(10-15)11-19(21-17(16)8-9-22(3)18(21)6-7-20(22)45-13(2)43)23(29,30)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)41/h4-5,10,17-21H,6-9,11H2,1-3H3/t17-,18+,19-,20+,21-,22+/m1/s1
InChIKey ABGYCTXUFBXJOF-VTJFTLGMSA-N
Mol Weight 674.5 g/mol
Molecular Formula C28H27F13O4
Exact Mass 674.170175 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6OvGpAf4xZe
Name 7-ALPHA-PERFLUOROHEXYLESTRADIOL-DIACETATE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H27F13O4
InChI InChI=1S/C28H27F13O4/c1-12(42)44-15-4-5-16-14(10-15)11-19(21-17(16)8-9-22(3)18(21)6-7-20(22)45-13(2)43)23(29,30)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)41/h4-5,10,17-21H,6-9,11H2,1-3H3/t17-,18+,19-,20+,21-,22+/m1/s1
InChIKey ABGYCTXUFBXJOF-VTJFTLGMSA-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 CDCl3
Source File Reference UWLU38500