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(3S,4S,2'R,1''Z)-3-(1''-HEXENYL)-4-(2'-PHENYLMETHYLOXY-TRIDECYL)-2-OXETANONE
SpectraBase Compound ID H19y64bFzUH
InChI InChI=1S/C29H46O3/c1-3-5-7-9-10-11-12-13-17-21-26(31-24-25-19-15-14-16-20-25)23-28-27(29(30)32-28)22-18-8-6-4-2/h14-16,18-20,22,26-28H,3-13,17,21,23-24H2,1-2H3/b22-18-/t26-,27-,28-/m0/s1
InChIKey IVADGXAHQLQDPK-WCEZVSEQSA-N
Mol Weight 442.7 g/mol
Molecular Formula C29H46O3
Exact Mass 442.344695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6gZfSMqXk5E
Name (3S,4S,2'R,1''Z)-3-(1''-HEXENYL)-4-(2'-PHENYLMETHYLOXY-TRIDECYL)-2-OXETANONE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H46O3
InChI InChI=1S/C29H46O3/c1-3-5-7-9-10-11-12-13-17-21-26(31-24-25-19-15-14-16-20-25)23-28-27(29(30)32-28)22-18-8-6-4-2/h14-16,18-20,22,26-28H,3-13,17,21,23-24H2,1-2H3/b22-18-/t26-,27-,28-/m0/s1
InChIKey IVADGXAHQLQDPK-WCEZVSEQSA-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 442.682 g/mol
Solvent CDCl3
Source File Reference UWSI26282