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MILLEWANIN_A;3-[4-HYDROXY-3-METHOXY-2,5-BIS-(3-METHYL-2-BUTENYL)-PHENYL]-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE
SpectraBase Compound ID 7FqzXfI5Wwz
InChI InChI=1S/C26H28O6/c1-14(2)6-8-16-10-19(18(9-7-15(3)4)26(31-5)24(16)29)20-13-32-22-12-17(27)11-21(28)23(22)25(20)30/h6-7,10-13,27-29H,8-9H2,1-5H3
InChIKey DZMHNWASEFIGIS-UHFFFAOYSA-N
Mol Weight 436.5 g/mol
Molecular Formula C26H28O6
Exact Mass 436.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L1dQip6MI3d
Name (3-[4-hydroxy-3-methoxy-2,5-bis(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one)
Appearance Colorless powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28O6
InChI InChI=1S/C26H28O6/c1-14(2)6-8-16-10-19(18(9-7-15(3)4)26(31-5)24(16)29)20-13-32-22-12-17(27)11-21(28)23(22)25(20)30/h6-7,10-13,27-29H,8-9H2,1-5H3
InChIKey DZMHNWASEFIGIS-UHFFFAOYSA-N
Instrument Name JEOL HX-110/JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1021/np030554q
Molecular Weight 436.504 g/mol
Reported Formula C26H28O6
SMILES Oc1cc(cc2OC=C(c3cc(c(c(c3CC=C(C)C)OC)O)CC=C(C)C)C(c12)=O)O
SPLASH splash10-0udi-0911300000-6aff6431ff7d31efee45
Source of Spectrum G4-67-1129-1
Synonyms Millewanin A
Wiley ID 1881837