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ISOXANTHOHUMOL
SpectraBase Compound ID L5tlyPQz5fF
InChI InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3
InChIKey YKGCBLWILMDSAV-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 6xwmiL0BX2Y
Name 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-butenyl)-
CAS Registry Number 521-48-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3
InChIKey YKGCBLWILMDSAV-UHFFFAOYSA-N
Molecular Weight 354.402 g/mol
SMILES Oc1ccc(C2Oc3c(c(cc(c3CC=C(C)C)O)OC)C(C2)=O)cc1
SPLASH splash10-0fb9-5944000000-abf02a36cd4036bc09c9
Source of Spectrum W5-31148-0-0
Synonyms 7-Hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-butenyl)-2,3-dihydro-4H-chromen-4-one 2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-7-oxidanyl-2,3-dihydrochromen-4-one 7-Hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one 7-Hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-1-benzopyran-4-one 7-Hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)chroman-4-one
Wiley ID 1344672