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(2S,3S,5R,1'E)-2-(1'-HEXENYL)-3-HYDROXY-5-PHENYLMETHYLOXY-HEXADECANAL
SpectraBase Compound ID KCq8f5aqQYe
InChI InChI=1S/C29H48O3/c1-3-5-7-9-10-11-12-13-18-22-28(32-25-26-19-15-14-16-20-26)23-29(31)27(24-30)21-17-8-6-4-2/h14-17,19-21,24,27-29,31H,3-13,18,22-23,25H2,1-2H3/b21-17+/t27-,28-,29-/m0/s1
InChIKey LSIVTDHTBDSQAK-OAPPPSQMSA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FZ4lrsCgLwx
Name (2S,3S,5R,1'E)-2-(1'-HEXENYL)-3-HYDROXY-5-PHENYLMETHYLOXY-HEXADECANAL
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-3-5-7-9-10-11-12-13-18-22-28(32-25-26-19-15-14-16-20-26)23-29(31)27(24-30)21-17-8-6-4-2/h14-17,19-21,24,27-29,31H,3-13,18,22-23,25H2,1-2H3/b21-17+/t27-,28-,29-/m0/s1
InChIKey LSIVTDHTBDSQAK-OAPPPSQMSA-N
Literature Reference Author O.DIRAT,C.KOUKLOVSKY,Y.LANGLOIS
Literature Reference Citation ORG.LETTERS,1,753(1999)
Literature Reference DOI 10.1021/ol990734k
Molecular Weight 444.698 g/mol
Solvent CDCl3
Source File Reference UWSI26281