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6-[(PENTAFLUOROPHENOXYTHIOCARBONYL)-OXY]-7-ALPHA-PERFLUOROHEXYL-ESTRADIOL-DIACETATE

Compound with spectra: 2 NMR

6-[(PENTAFLUOROPHENOXYTHIOCARBONYL)-OXY]-7-ALPHA-PERFLUOROHEXYL-ESTRADIOL-DIACETATE
SpectraBase Compound ID GleJmfvWtdh
InChI InChI=1S/C35H26F18O6S/c1-11(54)56-13-4-5-14-15-8-9-29(3)17(6-7-18(29)57-12(2)55)19(15)20(30(41,42)31(43,44)32(45,46)33(47,48)34(49,50)35(51,52)53)26(16(14)10-13)58-28(60)59-27-24(39)22(37)21(36)23(38)25(27)40/h4-5,10,15,17-20,26H,6-9H2,1-3H3/t15-,17+,18+,19-,20+,26?,29+/m1/s1
InChIKey YAPYJODXZXWETO-CUDQEFLQSA-N
Mol Weight 916.6 g/mol
Molecular Formula C35H26F18O6S
Exact Mass 916.116267 g/mol
Enantiomer InChIKey YAPYJODXZXWETO-TZYINKKYSA-N

View Spectrum of 6-[(PENTAFLUOROPHENOXYTHIOCARBONYL)-OXY]-7-ALPHA-PERFLUOROHEXYL-ESTRADIOL-DIACETATE

19F NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of 6-[(PENTAFLUOROPHENOXYTHIOCARBONYL)-OXY]-7-ALPHA-PERFLUOROHEXYL-ESTRADIOL-DIACETATE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Synthesis, Characterization and Biological Evaluation of 7α-Perfluoroalkylestradiol Derivatives Bioorganic & Medicinal Chemistry 2003
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