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3ALPHA,6ALPHA-DIHYDROXY-24,24,25,25,26,26-HEXAFLUORO-26-(3'-HYDROHEXAFLUOROPROPYL)-27-NOR-5BETA-CHOLESTANE
SpectraBase Compound ID AmMMiGGG4lG
InChI InChI=1S/C29H40F12O2/c1-14(6-11-25(32,33)27(36,37)29(40,41)28(38,39)26(34,35)22(30)31)17-4-5-18-16-13-21(43)20-12-15(42)7-9-24(20,3)19(16)8-10-23(17,18)2/h14-22,42-43H,4-13H2,1-3H3/t14-,15-,16?,17-,18?,19?,20+,21+,23-,24-/m0/s1
InChIKey FRXAFOLMHHXZAB-VEFWSTNPSA-N
Mol Weight 648.6 g/mol
Molecular Formula C29H40F12O2
Exact Mass 648.283668 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B0cns3DH0bw
Name 3ALPHA,6ALPHA-DIHYDROXY-24,24,25,25,26,26-HEXAFLUORO-26-(3'-HYDROHEXAFLUOROPROPYL)-27-NOR-5BETA-CHOLESTANE
Comments EXTERNAL STANDARD - CF3COOH (76.8 FROM CFCL3). SCALE INVERTED. NAME
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H40F12O2
InChI InChI=1S/C29H40F12O2/c1-14(6-11-25(32,33)27(36,37)29(40,41)28(38,39)26(34,35)22(30)31)17-4-5-18-16-13-21(43)20-12-15(42)7-9-24(20,3)19(16)8-10-23(17,18)2/h14-22,42-43H,4-13H2,1-3H3/t14-,15-,16?,17-,18?,19?,20+,21+,23-,24-/m0/s1
InChIKey FRXAFOLMHHXZAB-VEFWSTNPSA-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