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5-Cyano-5a-cholestan-3-one

View entire compound with spectra: 1 NMR

5-Cyano-5a-cholestan-3-one
SpectraBase Compound ID F90dhLz4DE7
InChI InChI=1S/C28H45NO/c1-19(2)7-6-8-20(3)23-9-10-24-22-12-16-28(18-29)17-21(30)11-15-27(28,5)25(22)13-14-26(23,24)4/h19-20,22-25H,6-17H2,1-5H3
InChIKey LQXDEIFCAJLJSU-UHFFFAOYSA-N
Mol Weight 411.7 g/mol
Molecular Formula C28H45NO
Exact Mass 411.350115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AVV5umbCTDC
Name 5-Cyano-5a-cholestan-3-one
CAS Registry Number 1424-21-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H45NO
InChI InChI=1S/C28H45NO/c1-19(2)7-6-8-20(3)23-9-10-24-22-12-16-28(18-29)17-21(30)11-15-27(28,5)25(22)13-14-26(23,24)4/h19-20,22-25H,6-17H2,1-5H3
InChIKey LQXDEIFCAJLJSU-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