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7-ALPHA-TRIFLUOROMETHYLESTRADIOL-DIACETATE
SpectraBase Compound ID 1MWQI3AdQHA
InChI InChI=1S/C23H27F3O4/c1-12(27)29-15-4-5-16-14(10-15)11-19(23(24,25)26)21-17(16)8-9-22(3)18(21)6-7-20(22)30-13(2)28/h4-5,10,17-21H,6-9,11H2,1-3H3/t17-,18+,19-,20+,21-,22?/m1/s1
InChIKey VXZRUHOOQGUQKE-RQOBDUCRSA-N
Mol Weight 424.46 g/mol
Molecular Formula C23H27F3O4
Exact Mass 424.186144 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LsnyzvDmPxD
Name 7-ALPHA-TRIFLUOROMETHYLESTRADIOL-DIACETATE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H27F3O4
InChI InChI=1S/C23H27F3O4/c1-12(27)29-15-4-5-16-14(10-15)11-19(23(24,25)26)21-17(16)8-9-22(3)18(21)6-7-20(22)30-13(2)28/h4-5,10,17-21H,6-9,11H2,1-3H3/t17-,18+,19-,20+,21-,22?/m1/s1
InChIKey VXZRUHOOQGUQKE-RQOBDUCRSA-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 UWLU38506