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2a,4-Dibromo-cholest-4-en-3-one

View entire compound with spectra: 1 NMR

2a,4-Dibromo-cholest-4-en-3-one
SpectraBase Compound ID BgIZ1bhrJLN
InChI InChI=1S/C27H42Br2O/c1-16(2)7-6-8-17(3)19-11-12-20-18-9-10-22-24(29)25(30)23(28)15-27(22,5)21(18)13-14-26(19,20)4/h16-21,23H,6-15H2,1-5H3
InChIKey CHIPXNMQKYLPKB-UHFFFAOYSA-N
Mol Weight 542.4 g/mol
Molecular Formula C27H42Br2O
Exact Mass 540.160242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E4F3WHtAsvM
Name 2a,4-Dibromo-cholest-4-en-3-one
Comments REFERENCED FROM C27 = 22.8 PPM FROM TMS
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C27H42Br2O
InChI InChI=1S/C27H42Br2O/c1-16(2)7-6-8-17(3)19-11-12-20-18-9-10-22-24(29)25(30)23(28)15-27(22,5)21(18)13-14-26(19,20)4/h16-21,23H,6-15H2,1-5H3
InChIKey CHIPXNMQKYLPKB-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