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MAMMEA-A/BB

View entire compound with spectra: 2 NMR, and 1 MS (GC)

MAMMEA-A/BB
SpectraBase Compound ID JDK7yT3Lf5x
InChI InChI=1S/C25H26O5/c1-5-15(4)22(27)21-24(29)17(12-11-14(2)3)23(28)20-18(13-19(26)30-25(20)21)16-9-7-6-8-10-16/h6-11,13,15,28-29H,5,12H2,1-4H3
InChIKey ZZRRSYITGMMRPP-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 9vN2gYhHzEF
Name 5,7-Dihydroxy-6-(3-methylbut-2-enyl)-8-(2-methyl-1-oxobutyl)-4-phenyl-1-benzopyran-2-one
Alternate Name(s) 5,7-Dihydroxy-8-(2-methylbutanoyl)-6-(3-methylbut-2-enyl)-4-phenyl-chromen-2-one 5,7-Dihydroxy-8-(2-methylbutanoyl)-6-(3-methylbut-2-enyl)-4-phenyl-coumarin 8-(2-Methylbutanoyl)-6-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)-4-phenyl-chromen-2-one
CAS Registry Number 111761-55-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26O5
InChI InChI=1S/C25H26O5/c1-5-15(4)22(27)21-24(29)17(12-11-14(2)3)23(28)20-18(13-19(26)30-25(20)21)16-9-7-6-8-10-16/h6-11,13,15,28-29H,5,12H2,1-4H3
InChIKey ZZRRSYITGMMRPP-UHFFFAOYSA-N
Molecular Weight 406.478 g/mol
SMILES Oc1c(c(c2c(c1C(=O)C(CC)C)OC(C=C2c1ccccc1)=O)O)CC=C(C)C
SPLASH splash10-0a4j-0029600000-ecc3dc5e3ca0921310a7
Source of Spectrum KC-1987-325-1
Wiley ID 1372317