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4a-Bromo-5a-cholestan-3-one

View entire compound with spectra: 1 NMR

4a-Bromo-5a-cholestan-3-one
SpectraBase Compound ID 1HKolO5Yr1z
InChI InChI=1S/C27H45BrO/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(28)24(29)14-16-27(23,5)22(19)13-15-26(20,21)4/h17-23,25H,6-16H2,1-5H3
InChIKey NIOCRRWZBFJEPT-UHFFFAOYSA-N
Mol Weight 465.6 g/mol
Molecular Formula C27H45BrO
Exact Mass 464.265379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HEl5Cu1pMzQ
Name 4a-Bromo-5a-cholestan-3-one
CAS Registry Number 2042-05-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H45BrO
InChI InChI=1S/C27H45BrO/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(28)24(29)14-16-27(23,5)22(19)13-15-26(20,21)4/h17-23,25H,6-16H2,1-5H3
InChIKey NIOCRRWZBFJEPT-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference J. Roemer, D. Scheller, J. Prakt. Chem. 325, 422 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3