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4,2',4'-TRIHYDROXY-3'-(3-HYDROXY-3,7-DIMETHYL-6-OCTENYL)-CHALCONE;XANTHOANGELOL-J
SpectraBase Compound ID HIxgDKtgf8F
InChI InChI=1S/C25H30O5/c1-17(2)5-4-15-25(3,30)16-14-21-23(28)13-11-20(24(21)29)22(27)12-8-18-6-9-19(26)10-7-18/h5-13,26,28-30H,4,14-16H2,1-3H3/b12-8+
InChIKey BQRLJINJRBLFJV-XYOKQWHBSA-N
Mol Weight 410.51 g/mol
Molecular Formula C25H30O5
Exact Mass 410.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBjmK8IQYd2
Name Xanthoangelol J
Alternate Name(s) (E)-1-[2,4-dihydroxy-3-(3-hydroxy-3,7-dimethyloct-6-enyl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one (E)-1-[2,4-dihydroxy-3-(3-hydroxy-3,7-dimethyloct-6-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one (E)-1-[3-(3,7-dimethyl-3-oxidanyl-oct-6-enyl)-2,4-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
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Formula C25H30O5
InChI InChI=1S/C25H30O5/c1-17(2)5-4-15-25(3,30)16-14-21-23(28)13-11-20(24(21)29)22(27)12-8-18-6-9-19(26)10-7-18/h5-13,26,28-30H,4,14-16H2,1-3H3/b12-8+
InChIKey BQRLJINJRBLFJV-XYOKQWHBSA-N
Molecular Weight 410.510 g/mol
SMILES OC(CCc1c(ccc(c1O)C(\C=C\c1ccc(cc1)O)=O)O)(CCC=C(C)C)C
SPLASH splash10-00r5-0956000000-d0ff5f58c154f924c9e8
Source of Spectrum G4-69-42-2
Wiley ID 1694645