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ISODISPARINOL-A;5,7-DIHYDROXY-6-(2''-HYDROXY-3''-METHYLBUT-3''-ENYL)-8-(3'''-METHYL-1'''-OXOBUTYL)-4-PHENYL-2H-BENZOPYRAN-2-ONE
SpectraBase Compound ID LSHfaeqQR4W
InChI InChI=1S/C25H26O6/c1-13(2)10-19(27)22-24(30)17(11-18(26)14(3)4)23(29)21-16(12-20(28)31-25(21)22)15-8-6-5-7-9-15/h5-9,12-13,18,26,29-30H,3,10-11H2,1-2,4H3
InChIKey ITJOJKQNAUALSC-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 10iEuQINYXb
Name Isodisparinol A ( 5,7-Dihydroxy-6-(2"-hydroxy-3"-methylbut-3"-enyl)-8-(3"'-methyl-1"'-oxobutyl)-4-phenyl-2H-benzopyran-2-one)
Alternate Name(s) Isodisparinol A (5,7-Dihydroxy-6-(2''-hydroxy-3''-methylbut-3''-enyl)-8-(3'''-methyl-1'''-oxobutyl)-4-phenyl-2H-benzopyran-2-one)
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Formula C25H26O6
InChI InChI=1S/C25H26O6/c1-13(2)10-19(27)22-24(30)17(11-18(26)14(3)4)23(29)21-16(12-20(28)31-25(21)22)15-8-6-5-7-9-15/h5-9,12-13,18,26,29-30H,3,10-11H2,1-2,4H3
InChIKey ITJOJKQNAUALSC-UHFFFAOYSA-N
Molecular Weight 422.477 g/mol
SMILES Oc1c(CC(C(=C)C)O)c(c(c2c1C(=CC(O2)=O)c1ccccc1)C(CC(C)C)=O)O
SPLASH splash10-0udi-0009100000-1431253a076ddd36dafa
Source of Spectrum H1-51-74-3
Wiley ID 817052