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2,2,6b-Tribromo-cholest-4-en-3-one

View entire compound with spectra: 1 NMR

2,2,6b-Tribromo-cholest-4-en-3-one
SpectraBase Compound ID EEoMz5RRPA1
InChI InChI=1S/C27H41Br3O/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-23(28)22-14-24(31)27(29,30)15-26(22,5)21(18)11-12-25(19,20)4/h14,16-21,23H,6-13,15H2,1-5H3
InChIKey HVIHHXUPKXUMGC-UHFFFAOYSA-N
Mol Weight 621.3 g/mol
Molecular Formula C27H41Br3O
Exact Mass 618.070755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DeM1COjLFGf
Name 2,2,6b-Tribromo-cholest-4-en-3-one
CAS Registry Number 50736-00-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H41Br3O
InChI InChI=1S/C27H41Br3O/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-23(28)22-14-24(31)27(29,30)15-26(22,5)21(18)11-12-25(19,20)4/h14,16-21,23H,6-13,15H2,1-5H3
InChIKey HVIHHXUPKXUMGC-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference J. Roemer, D. Scheller, G. Grossmann, J. Prakt. Chem. 327, 169, (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3