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(2Z,11Z,1'R,1''S,5R,9S)-7-METHYLIDENE-5,9-BIS-(1'-PHENYLETHOXY)-TRIDECA-2,11-DIEN-3,11-DIYL-DIBENZOATE
SpectraBase Compound ID EQ3Vwasr2dZ
InChI InChI=1S/C44H48O6/c1-6-39(49-43(45)37-24-16-10-17-25-37)30-41(47-33(4)35-20-12-8-13-21-35)28-32(3)29-42(48-34(5)36-22-14-9-15-23-36)31-40(7-2)50-44(46)38-26-18-11-19-27-38/h6-27,33-34,41-42H,3,28-31H2,1-2,4-5H3/b39-6-,40-7-/t33-,34+,41-,42+
InChIKey JBAQXPFHMMBNFB-ATIJIMHHSA-N
Mol Weight 672.9 g/mol
Molecular Formula C44H48O6
Exact Mass 672.345089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GACriqhBkPl
Name (2Z,11Z,1'R,1''S,5R,9S)-7-METHYLIDENE-5,9-BIS-(1'-PHENYLETHOXY)-TRIDECA-2,11-DIEN-3,11-DIYL-DIBENZOATE
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H48O6
InChI InChI=1S/C44H48O6/c1-6-39(49-43(45)37-24-16-10-17-25-37)30-41(47-33(4)35-20-12-8-13-21-35)28-32(3)29-42(48-34(5)36-22-14-9-15-23-36)31-40(7-2)50-44(46)38-26-18-11-19-27-38/h6-27,33-34,41-42H,3,28-31H2,1-2,4-5H3/b39-6-,40-7-/t33-,34+,41-,42+
InChIKey JBAQXPFHMMBNFB-ATIJIMHHSA-N
Literature Reference Author M.TURKS,F.FONQUERNE,P.VOGEL
Literature Reference Citation ORG.LETTERS,6,1053(2004)
Literature Reference DOI 10.1021/ol0498646
Molecular Weight 672.862 g/mol
Sample ID 50211
Solvent CDCl3