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5a-Cholestan-3-one

View entire compound with spectra: 28 NMR, and 17 MS (GC)

5a-Cholestan-3-one
SpectraBase Compound ID AVjxXUyi4wV
InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3
InChIKey PESKGJQREUXSRR-UHFFFAOYSA-N
Mol Weight 386.7 g/mol
Molecular Formula C27H46O
Exact Mass 386.354866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DkyEnIRsgg4
Name 5a-Cholestan-3-one
CAS Registry Number 566-88-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H46O
InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3
InChIKey PESKGJQREUXSRR-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference H. Eggert, C. Djerassi, J. Org. Chem. 38, 3788 (1973).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3