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MAMMEA_B/BC
SpectraBase Compound ID BVRCE0hWv6d
InChI InChI=1S/C21H26O5/c1-5-7-13-11-16(23)26-21-17(13)19(24)14(10-9-12(3)4)20(25)18(21)15(22)8-6-2/h9,11,24-25H,5-8,10H2,1-4H3
InChIKey KXLBWJRELYDBOS-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 CbZB5w5WwLF
Name 2H-1-Benzopyran-2-one, 5,7-dihydroxy-6-(3-methyl-2-butenyl)-8-(1-oxobutyl)-4-propyl-
Alternate Name(s) Coumarin, 8-butyryl-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4-propyl- 4-Pronyl-5,7-dihydroxy-6-(3-methyl2-butenyl)-8-pronylcarbonyl-1,2-benzopyrone 8-Butyryl-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4-propyl-2H-chromen-2-one Mammea b/bc 5,7-Dihydroxy-6-(3-methylbut-2-enyl)-8-(1-oxobutyl)-4-propyl-1-benzopyran-2-one 8-Butanoyl-5,7-dihydroxy-6-(3-methylbut-2-enyl)-4-propylchromen-2-one 8-Butanoyl-5,7-dihydroxy-6-(3-methylbut-2-enyl)-4-propyl-chromen-2-one 8-Butanoyl-6-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)-4-propyl-chromen-2-one
CAS Registry Number 5085-54-1
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Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-5-7-13-11-16(23)26-21-17(13)19(24)14(10-9-12(3)4)20(25)18(21)15(22)8-6-2/h9,11,24-25H,5-8,10H2,1-4H3
InChIKey KXLBWJRELYDBOS-UHFFFAOYSA-N
Molecular Weight 358.434 g/mol
SMILES Oc1c(c(c(c2c1C(=CC(O2)=O)CCC)C(=O)CCC)O)CC=C(C)C
SPLASH splash10-0pb9-0019000000-d4fb11e62dc753a51fd0
Source of Spectrum KC-1987-326-1
Wiley ID 1347179