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2H-1-Benzopyran-2-one, 5,7-dihydroxy-8-(3-methyl-2-butenyl)-6-(2-methyl-1-oxobutyl)-4-propyl-, (.+-.)-
SpectraBase Compound ID LA7DwDZdlQq
InChI InChI=1S/C22H28O5/c1-6-8-14-11-16(23)27-22-15(10-9-12(3)4)20(25)18(21(26)17(14)22)19(24)13(5)7-2/h9,11,13,25-26H,6-8,10H2,1-5H3
InChIKey PQMOXTJVIYEOQL-UHFFFAOYSA-N
Mol Weight 372.46 g/mol
Molecular Formula C22H28O5
Exact Mass 372.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7IYpoE9qIcM
Name 2H-1-Benzopyran-2-one, 5,7-dihydroxy-8-(3-methyl-2-butenyl)-6-(2-methyl-1-oxobutyl)-4-propyl-, (.+-.)-
CAS Registry Number 111761-56-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O5
InChI InChI=1S/C22H28O5/c1-6-8-14-11-16(23)27-22-15(10-9-12(3)4)20(25)18(21(26)17(14)22)19(24)13(5)7-2/h9,11,13,25-26H,6-8,10H2,1-5H3
InChIKey PQMOXTJVIYEOQL-UHFFFAOYSA-N
Molecular Weight 372.461 g/mol
SMILES Oc1c(c2OC(C=C(c2c(c1C(=O)C(CC)C)O)CCC)=O)CC=C(C)C
SPLASH splash10-014i-0029000000-5779e71dab21c388c5ab
Source of Spectrum KC-1987-326-1
Synonyms (.+-.)-Mammea B/AB 4-Propyl-5,7-dihydroxy-6-(1-methylpropylcarbonyl)-8-(3-methyl-2-butenyl)-1,2-benzopyrone 4-Propyl-5,7-dohydroxy-6-(3-methyl-2-butenyl)-8-(1-methylpropylcarbonyl)-2-benzopyrone 5,7-Dihydroxy-6-(2-methylbutanoyl)-8-(3-methyl-2-butenyl)-4-propyl-2H-chromen-2-one 5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-(2-methyl-1-oxobutyl)-4-propyl-1-benzopyran-2-one 5,7-Dihydroxy-6-(2-methylbutanoyl)-8-(3-methylbut-2-enyl)-4-propylchromen-2-one 5,7-Dihydroxy-6-(2-methylbutanoyl)-8-(3-methylbut-2-enyl)-4-propyl-chromen-2-one 6-(2-Methylbutanoyl)-8-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)-4-propyl-chromen-2-one
Wiley ID 1355597