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5,7-DIMETHOXY-8-(2''',3'''-EPOXY-3'''-METHYLBUTYL)-6-(3''-METHYL-1''-OXOBUTYL)-4-PHENYL-2H-BENZOPYRAN-2-ONE
SpectraBase Compound ID NsWNT44nfL
InChI InChI=1S/C27H30O6/c1-15(2)12-19(28)23-24(30-5)18(13-20-27(3,4)33-20)25-22(26(23)31-6)17(14-21(29)32-25)16-10-8-7-9-11-16/h7-11,14-15,20H,12-13H2,1-6H3
InChIKey MNSHSJAUSVPCDA-UHFFFAOYSA-N
Mol Weight 450.53 g/mol
Molecular Formula C27H30O6
Exact Mass 450.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRcKOxDR8nm
Name 5,7-Dimethoxy-8-(2"',3"'-epoxy-3"'-methylbutyl)-6-(3"-methyl-1"'oxobutyl)-4-phenyl-2H-benzopyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O6
InChI InChI=1S/C27H30O6/c1-15(2)12-19(28)23-24(30-5)18(13-20-27(3,4)33-20)25-22(26(23)31-6)17(14-21(29)32-25)16-10-8-7-9-11-16/h7-11,14-15,20H,12-13H2,1-6H3
InChIKey MNSHSJAUSVPCDA-UHFFFAOYSA-N
Molecular Weight 450.531 g/mol
SMILES c12c(c(CC3OC3(C)C)c(c(c1OC)C(CC(C)C)=O)OC)OC(C=C2c1ccccc1)=O
SPLASH splash10-0f7c-0009400000-f9709c30e167fb5d1245
Source of Spectrum H1-51-75-10
Synonyms 5,7-Dimethoxy-8-(2''',3'''-epoxy-3'''-methylbutyl)-6-(3''-methyl-1'''oxobutyl)-4-phenyl-2H-benzopyran-2-one 8-[(3,3-dimethyl-2-oxiranyl)methyl]-5,7-dimethoxy-6-(3-methylbutanoyl)-4-phenyl-2H-chromen-2-one
Wiley ID 817051