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ISOMESUOL;MAMMEA_A/BD
SpectraBase Compound ID L1LlcUCfTDu
InChI InChI=1S/C24H24O5/c1-13(2)10-11-16-22(27)19-17(15-8-6-5-7-9-15)12-18(25)29-24(19)20(23(16)28)21(26)14(3)4/h5-10,12,14,27-28H,11H2,1-4H3
InChIKey HFESPLMGUIFVMR-UHFFFAOYSA-N
Mol Weight 392.45 g/mol
Molecular Formula C24H24O5
Exact Mass 392.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7rVJq3a5Xok
Name 2H-1-Benzopyran-2-one, 5,7-dihydroxy-6-(3-methyl-2-butenyl)-8-(2-methyl-1-oxopropyl)-4-phenyl-
Alternate Name(s) 5,7-Dihydroxy-6-(3-methylbut-2-enyl)-8-(2-methyl-1-oxopropyl)-4-phenyl-1-benzopyran-2-one 5,7-Dihydroxy-6-(3-methylbut-2-enyl)-8-(2-methylpropanoyl)-4-phenyl-chromen-2-one 5,7-Dihydroxy-8-isobutyryl-6-(3-methylbut-2-enyl)-4-phenyl-coumarin 6-(3-Methylbut-2-enyl)-8-(2-methylpropanoyl)-5,7-bis(oxidanyl)-4-phenyl-chromen-2-one Isomesuol
CAS Registry Number 16981-21-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24O5
InChI InChI=1S/C24H24O5/c1-13(2)10-11-16-22(27)19-17(15-8-6-5-7-9-15)12-18(25)29-24(19)20(23(16)28)21(26)14(3)4/h5-10,12,14,27-28H,11H2,1-4H3
InChIKey HFESPLMGUIFVMR-UHFFFAOYSA-N
Molecular Weight 392.451 g/mol
SMILES Oc1c(c(c2c(c1C(=O)C(C)C)OC(C=C2c1ccccc1)=O)O)CC=C(C)C
SPLASH splash10-0007-0069000000-b63721604aeb2d911282
Source of Spectrum KC-1987-326-1
Wiley ID 1365949