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2',3,4,4'-Tetrahydroxy-3'-(3''-hydroxy-methylbutyl)-6'-methoxychalcone, 3-hydroxyxanthohumol H
SpectraBase Compound ID JWIby1qt6G0
InChI InChI=1S/C21H24O7/c1-21(2,27)9-8-13-16(24)11-18(28-3)19(20(13)26)15(23)7-5-12-4-6-14(22)17(25)10-12/h4-7,10-11,22,24-27H,8-9H2,1-3H3/b7-5+
InChIKey WPAIRXFLTWYCKM-FNORWQNLSA-N
Mol Weight 388.42 g/mol
Molecular Formula C21H24O7
Exact Mass 388.152203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxxhETyyHyn
Name 2',3,4,4'-Tetrahydroxy-3'-(3''-hydroxy-methylbutyl)-6'-methoxychalcone, 3-hydroxyxanthohumol H
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O7
InChI InChI=1S/C21H24O7/c1-21(2,27)9-8-13-16(24)11-18(28-3)19(20(13)26)15(23)7-5-12-4-6-14(22)17(25)10-12/h4-7,10-11,22,24-27H,8-9H2,1-3H3/b7-5+
InChIKey WPAIRXFLTWYCKM-FNORWQNLSA-N
Molecular Weight 388.416 g/mol
SMILES Oc1cc(c(c(c1CCC(O)(C)C)O)C(\C=C\c1cc(c(O)cc1)O)=O)OC
SPLASH splash10-004r-0908000000-6ade0b0b28f3b708d88d
Source of Spectrum F2-45-2211-14
Synonyms (E)-1-[2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)-6-methoxyphenyl]-3-(3,4-dihydroxyphenyl)-2-propen-1-one (E)-1-[2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)-6-methoxyphenyl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one (E)-3-[3,4-bis(oxidanyl)phenyl]-1-[6-methoxy-3-(3-methyl-3-oxidanyl-butyl)-2,4-bis(oxidanyl)phenyl]prop-2-en-1-one
Wiley ID 1689205