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(-)-(2Z,11Z,1'S,1''S,4S,5S,9S,10S)-4,10-DIMETHYL-7-METHYLIDENE-5,9-BIS-(1'-PHENYLETHOXY)-TRIDECA-2,11-DIENE-3,11-DIYL-DIBENZOATE

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(-)-(2Z,11Z,1'S,1''S,4S,5S,9S,10S)-4,10-DIMETHYL-7-METHYLIDENE-5,9-BIS-(1'-PHENYLETHOXY)-TRIDECA-2,11-DIENE-3,11-DIYL-DIBENZOATE
SpectraBase Compound ID J4rVIDibfmx
InChI InChI=1S/C46H52O6/c1-8-41(51-45(47)39-26-18-12-19-27-39)33(4)43(49-35(6)37-22-14-10-15-23-37)30-32(3)31-44(50-36(7)38-24-16-11-17-25-38)34(5)42(9-2)52-46(48)40-28-20-13-21-29-40/h8-29,33-36,43-44H,3,30-31H2,1-2,4-7H3/b41-8-,42-9-/t33-,34-,35-,36+,43-,44+/m0/s1
InChIKey IYOSZCPYARKIDD-VTZJUBEDSA-N
Mol Weight 700.9 g/mol
Molecular Formula C46H52O6
Exact Mass 700.376389 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 231cmSAw0VL
Name (-)-(2Z,11Z,1'S,1''S,4S,5S,9S,10S)-4,10-DIMETHYL-7-METHYLIDENE-5,9-BIS-(1'-PHENYLETHOXY)-TRIDECA-2,11-DIENE-3,11-DIYL-DIBENZOATE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H52O6
InChI InChI=1S/C46H52O6/c1-8-41(51-45(47)39-26-18-12-19-27-39)33(4)43(49-35(6)37-22-14-10-15-23-37)30-32(3)31-44(50-36(7)38-24-16-11-17-25-38)34(5)42(9-2)52-46(48)40-28-20-13-21-29-40/h8-29,33-36,43-44H,3,30-31H2,1-2,4-7H3/b41-8-,42-9-/t33-,34-,35-,36+,43-,44+/m0/s1
InChIKey IYOSZCPYARKIDD-VTZJUBEDSA-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 700.915 g/mol
Sample ID 50210
Solvent CDCl3