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(3'-E)-1-ALPHA-3-HYDROXYMETHYL-4-BETA,5-ALPHA-DIMETHOXYCYCLOHEX-2-ENYLOCTADEC-3'-ENOATE
SpectraBase Compound ID BfPNwlf99KK
InChI InChI=1S/C27H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)32-24-20-23(22-28)27(31-3)25(21-24)30-2/h17-18,20,24-25,27-28H,4-16,19,21-22H2,1-3H3/b18-17+/t24-,25-,27-/m1/s1
InChIKey DGILNSNPSRIPRX-RJCQQDPFSA-N
Mol Weight 452.7 g/mol
Molecular Formula C27H48O5
Exact Mass 452.350175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6A3u3cugUwW
Name (3'-E)-1-ALPHA-3-HYDROXYMETHYL-4-BETA,5-ALPHA-DIMETHOXYCYCLOHEX-2-ENYLOCTADEC-3'-ENOATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H48O5
InChI InChI=1S/C27H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)32-24-20-23(22-28)27(31-3)25(21-24)30-2/h17-18,20,24-25,27-28H,4-16,19,21-22H2,1-3H3/b18-17+/t24-,25-,27-/m1/s1
InChIKey DGILNSNPSRIPRX-RJCQQDPFSA-N
Literature Reference Author J.C.NDOM,J.T.MBAFOR,A.G.B.AZEBAZE,J.C.VARDAMIDES,Z.KAKAM,A.F .W.KAMDEM,A.DEVILLE,
Literature Reference Citation PHYTOCHEM.,67,838(2006)
Literature Reference DOI 10.1016/j.phytochem.2006.02.010
Molecular Weight 452.675 g/mol
Sample ID 41812
Solvent C5D5N