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5a,6b-Dibromo-cholestan-3-one
SpectraBase Compound ID Ex7nkJ1SAex
InChI InChI=1S/C27H44Br2O/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(28)27(29)16-19(30)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-18,20-24H,6-16H2,1-5H3
InChIKey RMQXJLCPVCCLRY-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 ZpVTtZ7Gj0
Name 5a,6b-Dibromo-cholestan-3-one
CAS Registry Number 2515-09-5
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)21-9-10-22-20-15-24(28)27(29)16-19(30)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-18,20-24H,6-16H2,1-5H3
InChIKey RMQXJLCPVCCLRY-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