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(2S*,3R*)-METHYL-3-HYDROXY-2-[(Z)-HEXADEC-7-ENYL]-4-OXOPENTANOATE
SpectraBase Compound ID C0Nzu542X1J
InChI InChI=1S/C22H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26-3)21(24)19(2)23/h11-12,20-21,24H,4-10,13-18H2,1-3H3/b12-11-/t20-,21-/m0/s1
InChIKey RKVXHJRCUIJAHS-UFFGUFBSSA-N
Mol Weight 368.6 g/mol
Molecular Formula C22H40O4
Exact Mass 368.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F9a3FPhOqQX
Name (2S*,3R*)-METHYL-3-HYDROXY-2-[(Z)-HEXADEC-7-ENYL]-4-OXOPENTANOATE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H40O4
InChI InChI=1S/C22H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26-3)21(24)19(2)23/h11-12,20-21,24H,4-10,13-18H2,1-3H3/b12-11-/t20-,21-/m0/s1
InChIKey RKVXHJRCUIJAHS-UFFGUFBSSA-N
Literature Reference Author N.ALLOUCHE,C.APEL,M.T.MARTIN,V.DUMONTET,F.GUERITTE,M.LITAUDO N
Literature Reference Citation PHYTOCHEM.,70,546(2009)
Literature Reference DOI 10.1016/j.phytochem.2009.01.012
Molecular Weight 368.557 g/mol
Sample ID 64615
Solvent CDCl3