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2H-1-Benzopyran-2-one, 5,7-dihydroxy-3,6-bis(3-methyl-2-butenyl)-8-(2-methyl-1-oxobutyl)-4-propyl-, (.+-.)-
SpectraBase Compound ID APC8mQPEuuP
InChI InChI=1S/C27H36O5/c1-8-10-18-19(13-11-15(3)4)27(31)32-26-21(18)24(29)20(14-12-16(5)6)25(30)22(26)23(28)17(7)9-2/h11-12,17,29-30H,8-10,13-14H2,1-7H3
InChIKey QQFYDPOVVRUJHD-UHFFFAOYSA-N
Mol Weight 440.6 g/mol
Molecular Formula C27H36O5
Exact Mass 440.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E2vXnDwwSwN
Name 2H-1-Benzopyran-2-one, 5,7-dihydroxy-3,6-bis(3-methyl-2-butenyl)-8-(2-methyl-1-oxobutyl)-4-propyl-, (.+-.)-
Alternate Name(s) 5,7-Dihydroxy-3,6-bis(3-methylbut-2-enyl)-8-(2-methylbutyryl)-4-propylcoumarin 5,7-Dihydroxy-8-(2-methylbutanoyl)-3,6-bis(3-methyl-2-butenyl)-4-propyl-2H-chromen-2-one
CAS Registry Number 111761-40-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O5
InChI InChI=1S/C27H36O5/c1-8-10-18-19(13-11-15(3)4)27(31)32-26-21(18)24(29)20(14-12-16(5)6)25(30)22(26)23(28)17(7)9-2/h11-12,17,29-30H,8-10,13-14H2,1-7H3
InChIKey QQFYDPOVVRUJHD-UHFFFAOYSA-N
Molecular Weight 440.580 g/mol
SMILES Oc1c(c(c2c(c1C(=O)C(CC)C)OC(C(=C2CCC)CC=C(C)C)=O)O)CC=C(C)C
SPLASH splash10-0006-0007900000-9e696d17d600775d60cc
Source of Spectrum KC-1987-326-11
Wiley ID 1384804