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MAB-1;MAMMEA-A/AB

View entire compound with spectra: 3 NMR, and 1 MS (GC)

MAB-1;MAMMEA-A/AB
SpectraBase Compound ID ETTUM5fEIml
InChI InChI=1S/C25H26O5/c1-5-15(4)22(27)21-23(28)17(12-11-14(2)3)25-20(24(21)29)18(13-19(26)30-25)16-9-7-6-8-10-16/h6-11,13,15,28-29H,5,12H2,1-4H3
InChIKey YALRCXHVQYBSJC-UHFFFAOYSA-N
Mol Weight 406.48 g/mol
Molecular Formula C25H26O5
Exact Mass 406.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fp8fPFFPBgp
Name 5,7-Dihydroxy-6-(2-methylbutanoyl)-8-(3-methylbut-2-enyl)-4-phenyl-chromen-2-one
CAS Registry Number 111761-54-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26O5
InChI InChI=1S/C25H26O5/c1-5-15(4)22(27)21-23(28)17(12-11-14(2)3)25-20(24(21)29)18(13-19(26)30-25)16-9-7-6-8-10-16/h6-11,13,15,28-29H,5,12H2,1-4H3
InChIKey YALRCXHVQYBSJC-UHFFFAOYSA-N
Molecular Weight 406.478 g/mol
SMILES Oc1c(c2OC(C=C(c2c(c1C(=O)C(CC)C)O)c1ccccc1)=O)CC=C(C)C
SPLASH splash10-052b-0019400000-b4c1c12a17577046cfdf
Source of Spectrum KC-1987-325-1
Synonyms 5,7-Dihydroxy-6-(2-methylbutanoyl)-8-(3-methylbut-2-enyl)-4-phenyl-coumarin 5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-(2-methyl-1-oxobutyl)-4-phenyl-1-benzopyran-2-one 6-(2-Methylbutanoyl)-8-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)-4-phenyl-chromen-2-one
Wiley ID 1372315