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5-Cholesten-3β-ol-7-one

View entire compound with spectra: 3 NMR, 2 FTIR, 1 Raman, and 2 MS (GC)

5-Cholesten-3β-ol-7-one
SpectraBase Compound ID E6qf2oAIjSE
InChI InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1
InChIKey YIKKMWSQVKJCOP-ABXCMAEBSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CtAoQ5my1nz
Name 3-BETA-HYDROXY-CHOLEST-5-EN-7-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1
InChIKey YIKKMWSQVKJCOP-ABXCMAEBSA-N
Literature Reference Author G.NOTARO,V.PICCIALLI,D.SICA
Literature Reference Citation J.NAT.PROD.,55,1588(1992)
Literature Reference DOI 10.1021/np50089a005
Molecular Weight 400.645 g/mol
Solvent CDCl3
Source File Reference UWCS4590