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3b-Acetoxy-5-bromo-5a-cholestan-6-one

View entire compound with spectra: 1 NMR

3b-Acetoxy-5-bromo-5a-cholestan-6-one
SpectraBase Compound ID EIYS11VCg6h
InChI InChI=1S/C29H47BrO3/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(32)29(30)17-21(33-20(4)31)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-25H,7-17H2,1-6H3
InChIKey YSMYGJURSXWFES-UHFFFAOYSA-N
Mol Weight 523.6 g/mol
Molecular Formula C29H47BrO3
Exact Mass 522.270858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4eKr3bV2xIj
Name 3b-Acetoxy-5-bromo-5a-cholestan-6-one
CAS Registry Number 14956-20-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H47BrO3
InChI InChI=1S/C29H47BrO3/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(32)29(30)17-21(33-20(4)31)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-25H,7-17H2,1-6H3
InChIKey YSMYGJURSXWFES-UHFFFAOYSA-N
Literature Reference J.W. Blunt, J.B. Stothers, Org. Magn. Resonance 9, 439 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3