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Coumarin, 5,7-dihydroxy-6-isovaleryl-8-(3-methyl-2-butenyl)-4-propyl-
SpectraBase Compound ID 95O2zC3TDBi
InChI InChI=1S/C22H28O5/c1-6-7-14-11-17(24)27-22-15(9-8-12(2)3)20(25)19(21(26)18(14)22)16(23)10-13(4)5/h8,11,13,25-26H,6-7,9-10H2,1-5H3
InChIKey VXFHCMCZMKQIMR-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 ISq4OpQCcUR
Name Coumarin, 5,7-dihydroxy-6-isovaleryl-8-(3-methyl-2-butenyl)-4-propyl-
CAS Registry Number 478-67-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O5
InChI InChI=1S/C22H28O5/c1-6-7-14-11-17(24)27-22-15(9-8-12(2)3)20(25)19(21(26)18(14)22)16(23)10-13(4)5/h8,11,13,25-26H,6-7,9-10H2,1-5H3
InChIKey VXFHCMCZMKQIMR-UHFFFAOYSA-N
Molecular Weight 372.461 g/mol
SMILES Oc1c(c2OC(C=C(c2c(c1C(CC(C)C)=O)O)CCC)=O)CC=C(C)C
SPLASH splash10-00xr-0009000000-584b790bc6e0293a5e60
Source of Spectrum KC-1987-326-1
Synonyms Isomammein 2H-benzopyran-2-one, 5,7-dihydroxy-8-(3-methyl-2-butenyl)-6-(3-methyl-1-oxobutyl)-4-propyl- 5,7-Dihydroxy-6-(3-methylbutanoyl)-8-(3-methylbut-2-enyl)-4-propyl-chromen-2-one 5,7-Dihydroxy-6-isovaleryl-8-(3-methylbut-2-enyl)-4-propyl-coumarin 5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(3-methyl-1-oxobutyl)-4-propyl-2H-benzopyran-2-one 5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-(3-methyl-1-oxobutyl)-4-propyl-1-benzopyran-2-one 6-(3-Methylbutanoyl)-8-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)-4-propyl-chromen-2-one Mammea b/aa
Wiley ID 1355595