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benzyl 4-[2',4'-dimethoxy-6'-(2''-oxopentyl)benzoyloxy]-2-hydroxy-6-pentylbenzoate
SpectraBase Compound ID JxB3IOAmJtg
InChI InChI=1S/C33H38O8/c1-5-7-9-15-23-17-27(19-28(35)30(23)32(36)40-21-22-13-10-8-11-14-22)41-33(37)31-24(16-25(34)12-6-2)18-26(38-3)20-29(31)39-4/h8,10-11,13-14,17-20,35H,5-7,9,12,15-16,21H2,1-4H3
InChIKey HYFAIWMJDOWYFC-UHFFFAOYSA-N
Mol Weight 562.7 g/mol
Molecular Formula C33H38O8
Exact Mass 562.256668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MoIXJIhLXk
Name benzyl 4-[2',4'-dimethoxy-6'-(2''-oxopentyl)benzoyloxy]-2-hydroxy-6-pentylbenzoate
Alternate Name(s) 4-[(benzyloxy)carbonyl]-3-hydroxy-5-pentylphenyl 2,4-dimethoxy-6-(2-oxopentyl)benzoate Benzyl 2-O-methylglomelliferate Benzyl 4-[2',4'-dimethoxy-6'-(2''-oxopentyl)benzoyloxy]-2-hydroxy-6-pentylbenzoate
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Formula C33H38O8
InChI InChI=1S/C33H38O8/c1-5-7-9-15-23-17-27(19-28(35)30(23)32(36)40-21-22-13-10-8-11-14-22)41-33(37)31-24(16-25(34)12-6-2)18-26(38-3)20-29(31)39-4/h8,10-11,13-14,17-20,35H,5-7,9,12,15-16,21H2,1-4H3
InChIKey HYFAIWMJDOWYFC-UHFFFAOYSA-N
Molecular Weight 562.659 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2OC)OC)CC(=O)CCC)=O)cc(c1C(OCc1ccccc1)=O)CCCCC
SPLASH splash10-0006-9000000000-9358e99904dd38a9a433
Source of Spectrum B-50-483-28
Wiley ID 745676