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2',4,4'-Trihydroxy-3'-(3''-hydroxy-methylbutyl)-3,6'-dimethoxychalcone, 3-methoxyxanthohumol H
SpectraBase Compound ID 870bpRIOj9V
InChI InChI=1S/C22H26O7/c1-22(2,27)10-9-14-17(25)12-19(29-4)20(21(14)26)16(24)8-6-13-5-7-15(23)18(11-13)28-3/h5-8,11-12,23,25-27H,9-10H2,1-4H3/b8-6+
InChIKey VUCUUCXNAYBAFS-SOFGYWHQSA-N
Mol Weight 402.44 g/mol
Molecular Formula C22H26O7
Exact Mass 402.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5azVlTX2lSc
Name 2',4,4'-Trihydroxy-3'-(3''-hydroxy-methylbutyl)-3,6'-dimethoxychalcone, 3-methoxyxanthohumol H
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O7
InChI InChI=1S/C22H26O7/c1-22(2,27)10-9-14-17(25)12-19(29-4)20(21(14)26)16(24)8-6-13-5-7-15(23)18(11-13)28-3/h5-8,11-12,23,25-27H,9-10H2,1-4H3/b8-6+
InChIKey VUCUUCXNAYBAFS-SOFGYWHQSA-N
Molecular Weight 402.443 g/mol
SMILES Oc1cc(c(c(c1CCC(O)(C)C)O)C(\C=C\c1cc(c(O)cc1)OC)=O)OC
SPLASH splash10-0fb9-0904500000-c656876cafef48fc0c8a
Source of Spectrum F2-45-2211-15
Synonyms (E)-1-[2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)-6-methoxyphenyl]-3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-one (E)-1-[2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)-6-methoxyphenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one (E)-1-[6-methoxy-3-(3-methyl-3-oxidanyl-butyl)-2,4-bis(oxidanyl)phenyl]-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-en-1-one
Wiley ID 1713446