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VERBENACHALCONE;4,2',4',2''',4'''-PENTAHYDROXY-3''-METHOXY-3-O-4''-TETRAHYDROBICHALCONE
SpectraBase Compound ID 8DE67Pu5QkL
InChI InChI=1S/C31H28O9/c1-39-31-15-19(3-11-25(35)23-9-7-21(33)17-28(23)38)5-13-29(31)40-30-14-18(4-12-26(30)36)2-10-24(34)22-8-6-20(32)16-27(22)37/h4-9,12-17,32-33,36-38H,2-3,10-11H2,1H3
InChIKey IBCUKCLBAVTGLY-UHFFFAOYSA-N
Mol Weight 544.56 g/mol
Molecular Formula C31H28O9
Exact Mass 544.173332 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZnEagrc2KQ
Name Verbenachalcone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H28O9
InChI InChI=1S/C31H28O9/c1-39-31-15-19(3-11-25(35)23-9-7-21(33)17-28(23)38)5-13-29(31)40-30-14-18(4-12-26(30)36)2-10-24(34)22-8-6-20(32)16-27(22)37/h4-9,12-17,32-33,36-38H,2-3,10-11H2,1H3
InChIKey IBCUKCLBAVTGLY-UHFFFAOYSA-N
Molecular Weight 544.556 g/mol
SMILES Oc1cc(c(C(CCc2ccc(Oc3cc(CCC(c4c(cc(cc4)O)O)=O)ccc3O)c(c2)OC)=O)cc1)O
SPLASH splash10-000i-0920030000-cbe629a7ac529a5e934b
Source of Spectrum G4-64-808-1
Synonyms 1-(2,4-dihydroxyphenyl)-3-[3-[4-[3-(2,4-dihydroxyphenyl)-3-keto-propyl]-2-methoxy-phenoxy]-4-hydroxy-phenyl]propan-1-one 1-(2,4-dihydroxyphenyl)-3-[3-[4-[3-(2,4-dihydroxyphenyl)-3-oxo-propyl]-2-methoxy-phenoxy]-4-hydroxy-phenyl]propan-1-one 1-(2,4-dihydroxyphenyl)-3-[3-[4-[3-(2,4-dihydroxyphenyl)-3-oxopropyl]-2-methoxyphenoxy]-4-hydroxyphenyl]-1-propanone 1-[2,4-bis(oxidanyl)phenyl]-3-[3-[4-[3-[2,4-bis(oxidanyl)phenyl]-3-oxidanylidene-propyl]-2-methoxy-phenoxy]-4-oxidanyl-phenyl]propan-1-one
Wiley ID 1609006