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2H-1-Benzopyran-2-one, 5-[(3,7-dimethyl-2,6-octadienyl)oxy]-7-hydroxy-8-(2-methyl-1-oxobutyl)-4-propyl-, (E)-(.+-.)-
SpectraBase Compound ID 1bMofXgmwXd
InChI InChI=1S/C27H36O5/c1-7-10-20-15-23(29)32-27-24(20)22(16-21(28)25(27)26(30)19(6)8-2)31-14-13-18(5)12-9-11-17(3)4/h11,13,15-16,19,28H,7-10,12,14H2,1-6H3/b18-13+
InChIKey RUHBBCZLCYMDQL-QGOAFFKASA-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 7HStAU3navC
Name 2H-1-Benzopyran-2-one, 5-[(3,7-dimethyl-2,6-octadienyl)oxy]-7-hydroxy-8-(2-methyl-1-oxobutyl)-4-propyl-, (E)-(.+-.)-
Alternate Name(s) 5-{[(2E)-3,7-dimethyl-2,6-octadienyl]oxy}-7-hydroxy-8-(2-methylbutanoyl)-4-propyl-2H-chromen-2-one 7-Hydroxy-8-(2-methylbutyryl)-5-[(2E)-3,7-dimethyloct-2,6-dienyloxy]-4-propyl-coumarine
CAS Registry Number 98193-78-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O5
InChI InChI=1S/C27H36O5/c1-7-10-20-15-23(29)32-27-24(20)22(16-21(28)25(27)26(30)19(6)8-2)31-14-13-18(5)12-9-11-17(3)4/h11,13,15-16,19,28H,7-10,12,14H2,1-6H3/b18-13+
InChIKey RUHBBCZLCYMDQL-QGOAFFKASA-N
Molecular Weight 440.580 g/mol
SMILES Oc1c(c2c(C(CCC)=CC(O2)=O)c(c1)OC\C=C\(CCC=C(C)C)C)C(=O)C(CC)C
SPLASH splash10-0f6t-0097000000-ad19226e405ae41fecf8
Source of Spectrum KC-1987-327-14
Wiley ID 1384806