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(-)-(2Z,4S,5S,1'S)-7-(ACETYLOXY)-METHYL-4-METHYL-5-(1'-PHENYLETHOXY)-OCTA-2,7-DIEN-3-YL-BENZOATE
SpectraBase Compound ID J9upBITXdc5
InChI InChI=1S/C27H32O5/c1-6-25(32-27(29)24-15-11-8-12-16-24)20(3)26(17-19(2)18-30-22(5)28)31-21(4)23-13-9-7-10-14-23/h6-16,20-21,26H,2,17-18H2,1,3-5H3/b25-6-/t20-,21-,26+/m0/s1
InChIKey BEGNXBDUHIPDIU-NEZJKNPJSA-N
Mol Weight 436.5 g/mol
Molecular Formula C27H32O5
Exact Mass 436.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KXZZ5ZWmDSy
Name (-)-(2Z,4S,5S,1'S)-7-(ACETYLOXY)-METHYL-4-METHYL-5-(1'-PHENYLETHOXY)-OCTA-2,7-DIEN-3-YL-BENZOATE
Compound Number 19B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32O5
InChI InChI=1S/C27H32O5/c1-6-25(32-27(29)24-15-11-8-12-16-24)20(3)26(17-19(2)18-30-22(5)28)31-21(4)23-13-9-7-10-14-23/h6-16,20-21,26H,2,17-18H2,1,3-5H3/b25-6-/t20-,21-,26+/m0/s1
InChIKey BEGNXBDUHIPDIU-NEZJKNPJSA-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 436.548 g/mol
Sample ID 50205
Solvent CDCl3