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2-(2,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-en-1-yl)-6-(3-methyl-2-oxobutyl)-4H-1-benzopyran-4-one
SpectraBase Compound ID 4EJzvW2arC3
InChI InChI=1S/C26H28O7/c1-13(2)6-8-17-24(30)23-22(33-26(17)16-9-7-15(27)10-20(16)29)12-21(32-5)18(25(23)31)11-19(28)14(3)4/h6-7,9-10,12,14,27,29,31H,8,11H2,1-5H3
InChIKey VHUPQBWLYQIYGU-UHFFFAOYSA-N
Mol Weight 452.5 g/mol
Molecular Formula C26H28O7
Exact Mass 452.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1yud6wpmNon
Name 2-(2,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-en-1-yl)-6-(3-methyl-2-oxobutyl)-4H-1-benzopyran-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.183503235 u
Formula C26H28O7
InChI InChI=1S/C26H28O7/c1-13(2)6-8-17-24(30)23-22(33-26(17)16-9-7-15(27)10-20(16)29)12-21(32-5)18(25(23)31)11-19(28)14(3)4/h6-7,9-10,12,14,27,29,31H,8,11H2,1-5H3
InChIKey VHUPQBWLYQIYGU-UHFFFAOYSA-N
Molecular Weight 452.503 g/mol
SMILES C1(=C(C(C=2C(O1)=CC(=C(C2O)CC(C(C)C)=O)OC)=O)CC=C(C)C)C=1C(=CC(=CC1)O)O