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4a,5a-Dibromo-5a-cholestan-3-one

View entire compound with spectra: 1 NMR

4a,5a-Dibromo-5a-cholestan-3-one
SpectraBase Compound ID LiLCsVi6Vpy
InChI InChI=1S/C27H44Br2O/c1-17(2)7-6-8-18(3)20-9-10-21-19-11-16-27(29)24(28)23(30)13-15-26(27,5)22(19)12-14-25(20,21)4/h17-22,24H,6-16H2,1-5H3
InChIKey VIMMGHIFZVKSEA-UHFFFAOYSA-N
Mol Weight 544.5 g/mol
Molecular Formula C27H44Br2O
Exact Mass 542.175892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9TY47MqqYP0
Name 4a,5a-Dibromo-5a-cholestan-3-one
Comments REFERENCED FROM C27=22.8 PPM FROM TMS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H44Br2O
InChI InChI=1S/C27H44Br2O/c1-17(2)7-6-8-18(3)20-9-10-21-19-11-16-27(29)24(28)23(30)13-15-26(27,5)22(19)12-14-25(20,21)4/h17-22,24H,6-16H2,1-5H3
InChIKey VIMMGHIFZVKSEA-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference J. Roemer, D. Scheller, G. Grossmann, Magn. Res. Chem. 25, 135 (1987).
NMR Standard see comment
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3