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Cholestan-4-one, 5-hydroxy-, (5.alpha.)-

View entire compound with spectra: 2 NMR, and 2 MS (GC)

Cholestan-4-one, 5-hydroxy-, (5.alpha.)-
SpectraBase Compound ID 3DCJ659emFB
InChI InChI=1S/C27H46O2/c1-18(2)8-6-9-19(3)21-11-12-22-20-13-17-27(29)24(28)10-7-15-26(27,5)23(20)14-16-25(21,22)4/h18-23,29H,6-17H2,1-5H3
InChIKey KTMRGGHFNOAMRH-UHFFFAOYSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HklEYD1NLlP
Name 5a-Cholestan-5a-ol-4-one
CAS Registry Number 19043-66-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-18(2)8-6-9-19(3)21-11-12-22-20-13-17-27(29)24(28)10-7-15-26(27,5)23(20)14-16-25(21,22)4/h18-23,29H,6-17H2,1-5H3
InChIKey KTMRGGHFNOAMRH-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference J.M. Coxon, J.R. Gibson, Aust. J. Chem. 34, 1451 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3