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MAMMEA_B/BA
SpectraBase Compound ID LtjXjYrhxx3
InChI InChI=1S/C22H28O5/c1-6-7-14-11-17(24)27-22-18(14)20(25)15(9-8-12(2)3)21(26)19(22)16(23)10-13(4)5/h8,11,13,25-26H,6-7,9-10H2,1-5H3
InChIKey LYJWLIYDNZREPC-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 CGpx5NkHDui
Name 2H-1-Benzopyran-2-one, 5,7-dihydroxy-6-(3-methyl-2-butenyl)-8-(3-methyl-1-oxobutyl)-4-propyl-
CAS Registry Number 521-38-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O5
InChI InChI=1S/C22H28O5/c1-6-7-14-11-17(24)27-22-18(14)20(25)15(9-8-12(2)3)21(26)19(22)16(23)10-13(4)5/h8,11,13,25-26H,6-7,9-10H2,1-5H3
InChIKey LYJWLIYDNZREPC-UHFFFAOYSA-N
Molecular Weight 372.461 g/mol
SMILES Oc1c(c(c2c(c1C(CC(C)C)=O)OC(C=C2CCC)=O)O)CC=C(C)C
SPLASH splash10-00xr-0019000000-9556562221e6c44c94a8
Source of Spectrum KC-1987-326-1
Synonyms Coumarin, 5,7-dihydroxy-8-isovaleryl-6-(3-methyl-2-butenyl)-4-propyl- Mammein 4-n-propyl-5,7-dihydroxy-6-isopentenyl-8-isovalerylcoumarin 5,7-Dihydroxy-6-(3-methyl-2-butenyl)-8-(3-methyl-1-oxobutyl)-4-propyl-2H-1-benzopyran-2-one 5,7-Dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methyl-1-oxobutyl)-4-propyl-1-benzopyran-2-one 5,7-Dihydroxy-8-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)-4-propyl-chromen-2-one 5,7-Dihydroxy-8-isovaleryl-6-(3-methylbut-2-enyl)-4-propyl-coumarin 8-(3-Methylbutanoyl)-6-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)-4-propyl-chromen-2-one Mammea b/ba
Wiley ID 1355598