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5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-(1-oxobutyl)-4-propyl-1-benzopyran-2-one
SpectraBase Compound ID EGNE38SZ3Jt
InChI InChI=1S/C21H26O5/c1-5-7-13-11-16(23)26-21-14(10-9-12(3)4)19(24)18(15(22)8-6-2)20(25)17(13)21/h9,11,24-25H,5-8,10H2,1-4H3
InChIKey HDHKEYMZRICGLG-UHFFFAOYSA-N
Mol Weight 358.43 g/mol
Molecular Formula C21H26O5
Exact Mass 358.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3INR0OXuvcc
Name 5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-(1-oxobutyl)-4-propyl-1-benzopyran-2-one
CAS Registry Number 38537-84-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-5-7-13-11-16(23)26-21-14(10-9-12(3)4)19(24)18(15(22)8-6-2)20(25)17(13)21/h9,11,24-25H,5-8,10H2,1-4H3
InChIKey HDHKEYMZRICGLG-UHFFFAOYSA-N
Molecular Weight 358.434 g/mol
SMILES Oc1c(c(c(c2c1C(=CC(O2)=O)CCC)CC=C(C)C)O)C(=O)CCC
SPLASH splash10-0pb9-0019000000-37e04cd44c5dc9605b1c
Source of Spectrum KC-1987-326-1
Synonyms 6-Butanoyl-5,7-dihydroxy-8-(3-methylbut-2-enyl)-4-propyl-chromen-2-one 6-Butanoyl-8-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)-4-propyl-chromen-2-one 6-Butyryl-5,7-dihydroxy-8-(3-methylbut-2-enyl)-4-propyl-coumarin
Wiley ID 1347177