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DISPARINOL-A;5,7-DIHYDROXY-8-(2'''-HYDROXY-3'''-METHYLBUT-3'''-ENYL)-6-(3''-METHYL-1''-OXOBUTYL)-4-PHENYL-2H-BENZOPYRAN-2-ONE
SpectraBase Compound ID 4A08iuHXTDl
InChI InChI=1S/C25H26O6/c1-13(2)10-19(27)22-23(29)17(11-18(26)14(3)4)25-21(24(22)30)16(12-20(28)31-25)15-8-6-5-7-9-15/h5-9,12-13,18,26,29-30H,3,10-11H2,1-2,4H3
InChIKey IQMQJKCHMGXLEU-UHFFFAOYSA-N
Mol Weight 422.48 g/mol
Molecular Formula C25H26O6
Exact Mass 422.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zmsnqqvGZn
Name Disparinol A ( 5,7-Dihydroxy-8-(2"'-hydroxy-3"'-methylbut-3"'-enyl)-6-(3"-methyl-1"-oxobutyl)-4-phenyl-2H-benzopyran-2-one)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26O6
InChI InChI=1S/C25H26O6/c1-13(2)10-19(27)22-23(29)17(11-18(26)14(3)4)25-21(24(22)30)16(12-20(28)31-25)15-8-6-5-7-9-15/h5-9,12-13,18,26,29-30H,3,10-11H2,1-2,4H3
InChIKey IQMQJKCHMGXLEU-UHFFFAOYSA-N
Molecular Weight 422.477 g/mol
SMILES OC(Cc1c(c(c(c2c1OC(C=C2c1ccccc1)=O)O)C(CC(C)C)=O)O)C(=C)C
SPLASH splash10-0udi-0009000000-6288e143771ec5d5494b
Source of Spectrum H1-51-74-1
Synonyms Disparinol A (5,7-Dihydroxy-8-(2'''-hydroxy-3'''-methylbut-3'''-enyl)-6-(3''-methyl-1''-oxobutyl)-4-phenyl-2H-benzopyran-2-one) 5,7-Dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-6-(3-methyl-1-oxobutyl)-4-phenyl-1-benzopyran-2-one 5,7-Dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-6-(3-methylbutanoyl)-4-phenylchromen-2-one 5,7-Dihydroxy-8-(2-hydroxy-3-methyl-but-3-enyl)-6-(3-methylbutanoyl)-4-phenyl-chromen-2-one 6-(3-Methylbutanoyl)-8-(3-methyl-2-oxidanyl-but-3-enyl)-5,7-bis(oxidanyl)-4-phenyl-chromen-2-one
Wiley ID 817054