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4'-Benzyloxy-3-hydroxy-5-methoxy-3'-(3''-methylbut-2''-enyl)-stilbene

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4'-Benzyloxy-3-hydroxy-5-methoxy-3'-(3''-methylbut-2''-enyl)-stilbene
SpectraBase Compound ID G75Bei1pawi
InChI InChI=1S/C27H28O3/c1-20(2)9-13-24-15-21(10-11-23-16-25(28)18-26(17-23)29-3)12-14-27(24)30-19-22-7-5-4-6-8-22/h4-12,14-18,28H,13,19H2,1-3H3/b11-10+
InChIKey XDLVFNVWSMGUCP-ZHACJKMWSA-N
Mol Weight 400.52 g/mol
Molecular Formula C27H28O3
Exact Mass 400.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FOOYKAmjoE4
Name 4'-Benzyloxy-3-hydroxy-5-methoxy-3'-(3''-methylbut-2''-enyl)-stilbene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.203844759 u
Formula C27H28O3
InChI InChI=1S/C27H28O3/c1-20(2)9-13-24-15-21(10-11-23-16-25(28)18-26(17-23)29-3)12-14-27(24)30-19-22-7-5-4-6-8-22/h4-12,14-18,28H,13,19H2,1-3H3/b11-10+
InChIKey XDLVFNVWSMGUCP-ZHACJKMWSA-N
Molecular Weight 400.518 g/mol
SMILES C1(=C(OCC2=CC=CC=C2)C=CC(\C=C\C2=CC(O)=CC(=C2)OC)=C1)CC=C(C)C