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XSNRTHHONWPPCD-UHFFFAOYSA-N
SpectraBase Compound ID Hlx3lilyKyN
InChI InChI=1S/C24H24O6/c1-4-8-17(25)21-23(29)16(11-18(26)13(2)3)22(28)20-15(12-19(27)30-24(20)21)14-9-6-5-7-10-14/h5-7,9-10,12,18,26,28-29H,2,4,8,11H2,1,3H3
InChIKey XSNRTHHONWPPCD-UHFFFAOYSA-N
Mol Weight 408.45 g/mol
Molecular Formula C24H24O6
Exact Mass 408.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9MQYLkrSjaD
Name Isoracemosol (5,7-Dihydroxy-6-(2-hydroxy-3-methylbut-3-enyl)-8-(1-butanoyl)-4-phenyl-2H-[1]benzopyran-2-one)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24O6
InChI InChI=1S/C24H24O6/c1-4-8-17(25)21-23(29)16(11-18(26)13(2)3)22(28)20-15(12-19(27)30-24(20)21)14-9-6-5-7-10-14/h5-7,9-10,12,18,26,28-29H,2,4,8,11H2,1,3H3
InChIKey XSNRTHHONWPPCD-UHFFFAOYSA-N
Molecular Weight 408.450 g/mol
SMILES Oc1c(CC(C(=C)C)O)c(c(c2c1C(=CC(O2)=O)c1ccccc1)C(=O)CCC)O
SPLASH splash10-052o-0009400000-b7e2017381ec9af1593a
Source of Spectrum H1-51-2190-4
Synonyms 5,7-Dihydroxy-6-(2-hydroxy-3-methylbut-3-enyl)-8-(1-oxobutyl)-4-phenyl-1-benzopyran-2-one 8-Butanoyl-5,7-dihydroxy-6-(2-hydroxy-3-methylbut-3-enyl)-4-phenylchromen-2-one 8-Butanoyl-5,7-dihydroxy-6-(2-hydroxy-3-methyl-but-3-enyl)-4-phenyl-chromen-2-one 8-Butanoyl-6-(3-methyl-2-oxidanyl-but-3-enyl)-5,7-bis(oxidanyl)-4-phenyl-chromen-2-one
Wiley ID 817250