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3ALPHA,6ALPHA-DITOSYLOXY-24,24,25,25,26,26-HEXAFLUORO-26-TRIFLUOROMETHYL-27-NOR-5BETA-CHOLESTANE
SpectraBase Compound ID Fgze1FXL1dF
InChI InChI=1S/C41H51F9O6S2/c1-24-6-10-28(11-7-24)57(51,52)55-27-17-19-37(5)33-18-20-36(4)31(26(3)16-21-38(42,43)39(44,45)40(46,47)41(48,49)50)14-15-32(36)30(33)23-35(34(37)22-27)56-58(53,54)29-12-8-25(2)9-13-29/h6-13,26-27,30-35H,14-23H2,1-5H3/t26-,27-,30?,31-,32?,33?,34+,35+,36-,37-/m0/s1
InChIKey HHLXDHJCKVSBGK-JJSUIYJVSA-N
Mol Weight 875.0 g/mol
Molecular Formula C41H51F9O6S2
Exact Mass 874.298335 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JhWiuqAU4HW
Name 3ALPHA,6ALPHA-DITOSYLOXY-24,24,25,25,26,26-HEXAFLUORO-26-TRIFLUOROMETHYL-27-NOR-5BETA-CHOLESTANE
Comments EXTERNAL STANDARD - CF3COOH (76.8 FROM CFCL3). SCALE INVERTED. -118.7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C41H51F9O6S2
InChI InChI=1S/C41H51F9O6S2/c1-24-6-10-28(11-7-24)57(51,52)55-27-17-19-37(5)33-18-20-36(4)31(26(3)16-21-38(42,43)39(44,45)40(46,47)41(48,49)50)14-15-32(36)30(33)23-35(34(37)22-27)56-58(53,54)29-12-8-25(2)9-13-29/h6-13,26-27,30-35H,14-23H2,1-5H3/t26-,27-,30?,31-,32?,33?,34+,35+,36-,37-/m0/s1
InChIKey HHLXDHJCKVSBGK-JJSUIYJVSA-N
Instrument Name Varian EM-360
Literature Reference WEI-YUAN HUANG, LI-QING HU, WEN-ZHE GE (1989) J.Fluor.Chem.: v.43, N3, 305-318.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported