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3BETA-HYDROXY-24,24,25,25,26,26-HEXAFLUORO-26-(3'-HYDROHEXAFLUOROPROPYL)-27-NORCHOLEST-5-ENE
SpectraBase Compound ID 9GqJzBLJNMW
InChI InChI=1S/C29H38F12O/c1-15(8-13-25(32,33)27(36,37)29(40,41)28(38,39)26(34,35)22(30)31)19-6-7-20-18-5-4-16-14-17(42)9-11-23(16,2)21(18)10-12-24(19,20)3/h4,15,17-22,42H,5-14H2,1-3H3/t15-,17+,18?,19-,20?,21?,23+,24-/m0/s1
InChIKey AQMNWGRMOBSXHA-AIYYJFHJSA-N
Mol Weight 630.6 g/mol
Molecular Formula C29H38F12O
Exact Mass 630.273104 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ljzs60ML3qy
Name 3BETA-HYDROXY-24,24,25,25,26,26-HEXAFLUORO-26-(3'-HYDROHEXAFLUOROPROPYL)-27-NORCHOLEST-5-ENE
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 C29H38F12O
InChI InChI=1S/C29H38F12O/c1-15(8-13-25(32,33)27(36,37)29(40,41)28(38,39)26(34,35)22(30)31)19-6-7-20-18-5-4-16-14-17(42)9-11-23(16,2)21(18)10-12-24(19,20)3/h4,15,17-22,42H,5-14H2,1-3H3/t15-,17+,18?,19-,20?,21?,23+,24-/m0/s1
InChIKey AQMNWGRMOBSXHA-AIYYJFHJSA-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