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1-[2,4-Dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
SpectraBase Compound ID GSSWTLxp8kI
InChI InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3
InChIKey ORXQGKIUCDPEAJ-UHFFFAOYSA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IePYXTpG0PK
Name 1-[2,4-Dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3
InChIKey ORXQGKIUCDPEAJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19883210112
Molecular Weight 354.402 g/mol
SMILES Oc1ccc(C=CC(c2c(c(c(cc2OC)O)CC=C(C)C)O)=O)cc1
SPLASH splash10-0h01-0739000000-28199df8d943973734a4
Source of Spectrum APC-321-38-2
Synonyms Xanthohumol 1-(2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Wiley ID 1788392