John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9IGI0NI9i8s SpectraBase Spectrum ID=1iXkkuMu2M2

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CHOLEST-4-EN-6-ALPHA-OL-3-ONE
SpectraBase Compound ID 9IGI0NI9i8s
InChI InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-18,20-23,25,29H,6-14,16H2,1-5H3/t18-,20+,21-,22+,23+,25+,26-,27-/m1/s1
InChIKey VUCDSTCRVYGRSG-FQIKLQBFSA-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 1iXkkuMu2M2
Name CHOLEST-4-EN-6-ALPHA-OL-3-ONE
Copyright Copyright © 2016-2021 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)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-18,20-23,25,29H,6-14,16H2,1-5H3/t18-,20+,21-,22+,23+,25+,26-,27-/m1/s1
InChIKey VUCDSTCRVYGRSG-FQIKLQBFSA-N
Literature Reference Author H.L.HOLLAND,A.JAHANGIR
Literature Reference Citation CAN.J.CHEM.,61,2165(1983)
Literature Reference DOI 10.1139/v83-377
Molecular Weight 400.645 g/mol
Solvent CDCl3
Source File Reference UWED2839
SpectraBase Batch ID 5fqD9es235u