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5,7-Dihydroxy-6-(2,3-dihydroxy-3-methylbutyl)-3-(2,4-dihydroxyphenyl)-4H-1-benzopyran-4-one

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5,7-Dihydroxy-6-(2,3-dihydroxy-3-methylbutyl)-3-(2,4-dihydroxyphenyl)-4H-1-benzopyran-4-one
SpectraBase Compound ID DYw24pwK8bq
InChI InChI=1S/C20H20O8/c1-20(2,27)16(24)6-11-14(23)7-15-17(18(11)25)19(26)12(8-28-15)10-4-3-9(21)5-13(10)22/h3-5,7-8,16,21-25,27H,6H2,1-2H3
InChIKey NRMWLDDPZIYFLO-UHFFFAOYSA-N
Mol Weight 388.37 g/mol
Molecular Formula C20H20O8
Exact Mass 388.115818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID uEZGvwWHnu
Name 5,7-Dihydroxy-6-(2,3-dihydroxy-3-methylbutyl)-3-(2,4-dihydroxyphenyl)-4H-1-benzopyran-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.115817596 u
Formula C20H20O8
InChI InChI=1S/C20H20O8/c1-20(2,27)16(24)6-11-14(23)7-15-17(18(11)25)19(26)12(8-28-15)10-4-3-9(21)5-13(10)22/h3-5,7-8,16,21-25,27H,6H2,1-2H3
InChIKey NRMWLDDPZIYFLO-UHFFFAOYSA-N
Molecular Weight 388.372 g/mol
SMILES C12=C(C(=C(C(=C2)O)CC(C(C)(O)C)O)O)C(C(=CO1)C1=CC=C(C=C1O)O)=O