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2-[4-hydroxy-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phenyl]acetic acid
SpectraBase Compound ID CtFSy5YFs5G
InChI InChI=1S/C28H40O3/c1-21(2)9-6-10-22(3)11-7-12-23(4)13-8-14-24(5)15-17-26-19-25(20-28(30)31)16-18-27(26)29/h9,11,13,15-16,18-19,29H,6-8,10,12,14,17,20H2,1-5H3,(H,30,31)/b22-11+,23-13+,24-15+
InChIKey KWRMKPPRYRRMKO-QMCSRMPWSA-N
Mol Weight 424.6 g/mol
Molecular Formula C28H40O3
Exact Mass 424.297745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AenXmELy2DP
Name 2-[4-hydroxy-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phenyl]acetic acid
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O3
InChI InChI=1S/C28H40O3/c1-21(2)9-6-10-22(3)11-7-12-23(4)13-8-14-24(5)15-17-26-19-25(20-28(30)31)16-18-27(26)29/h9,11,13,15-16,18-19,29H,6-8,10,12,14,17,20H2,1-5H3,(H,30,31)/b22-11+,23-13+,24-15+
InChIKey KWRMKPPRYRRMKO-QMCSRMPWSA-N
Literature Reference Author J.P.BAZ,L.M.CANEDO,D.TAPIOLAS
Literature Reference Citation J.NAT.PROD.,59,960(1996)
Literature Reference DOI 10.1021/np960367a
Molecular Weight 424.624 g/mol
Solvent CDCl3
Source File Reference UWVP718