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5-Fluoro-5a-cholestan-3-one

View entire compound with spectra: 1 NMR

5-Fluoro-5a-cholestan-3-one
SpectraBase Compound ID AMzKFNqaPoc
InChI InChI=1S/C27H45FO/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27(28)17-20(29)11-15-26(27,5)24(21)13-14-25(22,23)4/h18-19,21-24H,6-17H2,1-5H3
InChIKey GYBYHIRSHPUZRO-UHFFFAOYSA-N
Mol Weight 404.7 g/mol
Molecular Formula C27H45FO
Exact Mass 404.345444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6c16adUAkQt
Name 5-Fluoro-5a-cholestan-3-one
CAS Registry Number 2287-89-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H45FO
InChI InChI=1S/C27H45FO/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27(28)17-20(29)11-15-26(27,5)24(21)13-14-25(22,23)4/h18-19,21-24H,6-17H2,1-5H3
InChIKey GYBYHIRSHPUZRO-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