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3ALPHA,6ALPHA-DIHYDROXY-24,24,25,25,26,26-HEXAFLUORO-26-(3'-CHLOROHEXAFLUOROPROPYL)-27-NOR-5BETA-CHOLESTANE
SpectraBase Compound ID IamD2aIp6pG
InChI InChI=1S/C29H39ClF12O2/c1-14(6-11-24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(30,41)42)17-4-5-18-16-13-21(44)20-12-15(43)7-9-23(20,3)19(16)8-10-22(17,18)2/h14-21,43-44H,4-13H2,1-3H3/t14-,15-,16?,17-,18?,19?,20+,21+,22-,23-/m0/s1
InChIKey FLUFCQONYQQQSF-WJKSLPDISA-N
Mol Weight 683.1 g/mol
Molecular Formula C29H39ClF12O2
Exact Mass 682.244696 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GPf0pKqjwD5
Name 3ALPHA,6ALPHA-DIHYDROXY-24,24,25,25,26,26-HEXAFLUORO-26-(3'-CHLOROHEXAFLUOROPROPYL)-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 C29H39ClF12O2
InChI InChI=1S/C29H39ClF12O2/c1-14(6-11-24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(30,41)42)17-4-5-18-16-13-21(44)20-12-15(43)7-9-23(20,3)19(16)8-10-22(17,18)2/h14-21,43-44H,4-13H2,1-3H3/t14-,15-,16?,17-,18?,19?,20+,21+,22-,23-/m0/s1
InChIKey FLUFCQONYQQQSF-WJKSLPDISA-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