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3-(3,7-Dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-(2-phenylethenyl)benzoic acid, 3me derivative

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3-(3,7-Dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-(2-phenylethenyl)benzoic acid, 3me derivative
SpectraBase Compound ID 3EwA3aRBDnw
InChI InChI=1S/C28H34O4/c1-20(2)11-10-12-21(3)15-18-24-25(30-4)19-23(17-16-22-13-8-7-9-14-22)26(27(24)31-5)28(29)32-6/h7-9,11,13-17,19H,10,12,18H2,1-6H3/b17-16+,21-15+
InChIKey KCVCXYRUVMAEMX-IUEIKPRBSA-N
Mol Weight 434.6 g/mol
Molecular Formula C28H34O4
Exact Mass 434.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JCJDs799rn0
Name 3-(3,7-Dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-(2-phenylethenyl)benzoic acid, 3me derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.245709571 u
Formula C28H34O4
InChI InChI=1S/C28H34O4/c1-20(2)11-10-12-21(3)15-18-24-25(30-4)19-23(17-16-22-13-8-7-9-14-22)26(27(24)31-5)28(29)32-6/h7-9,11,13-17,19H,10,12,18H2,1-6H3/b17-16+,21-15+
InChIKey KCVCXYRUVMAEMX-IUEIKPRBSA-N
Molecular Weight 434.576 g/mol
SMILES C1(=CC(=C(C(=C1C(=O)OC)OC)C\C=C\(CCC=C(C)C)C)OC)\C=C\C1=CC=CC=C1