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ENT-(+)-(2Z,1'R,5R)-7-(ACETYLOXY)-METHYL-5-(1'-PHENYLETHOXY)-OCTA-2,7-DIEN-3-YL-BENZOATE
SpectraBase Compound ID 1AvXX9V8dk9
InChI InChI=1S/C26H30O5/c1-5-24(31-26(28)23-14-10-7-11-15-23)17-25(16-19(2)18-29-21(4)27)30-20(3)22-12-8-6-9-13-22/h5-15,20,25H,2,16-18H2,1,3-4H3/b24-5-/t20-,25-/m0/s1
InChIKey LPPIUJMZRPEZNE-JYDNQQLXSA-N
Mol Weight 422.52 g/mol
Molecular Formula C26H30O5
Exact Mass 422.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2pd6TneGivs
Name ENT-(+)-(2Z,1'R,5R)-7-(ACETYLOXY)-METHYL-5-(1'-PHENYLETHOXY)-OCTA-2,7-DIEN-3-YL-BENZOATE
Compound Number 19C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H30O5
InChI InChI=1S/C26H30O5/c1-5-24(31-26(28)23-14-10-7-11-15-23)17-25(16-19(2)18-29-21(4)27)30-20(3)22-12-8-6-9-13-22/h5-15,20,25H,2,16-18H2,1,3-4H3/b24-5-/t20-,25-/m0/s1
InChIKey LPPIUJMZRPEZNE-JYDNQQLXSA-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 422.521 g/mol
Sample ID 50206
Solvent CDCl3