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Sekikaic acid, methyl ester
SpectraBase Compound ID Ljy09VeVFMI
InChI InChI=1S/C23H28O8/c1-6-8-13-10-15(28-3)12-16(24)18(13)23(27)31-21-17(29-4)11-14(9-7-2)19(20(21)25)22(26)30-5/h10-12,24-25H,6-9H2,1-5H3
InChIKey TVGSPKREJWLKSZ-UHFFFAOYSA-N
Mol Weight 432.47 g/mol
Molecular Formula C23H28O8
Exact Mass 432.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16KtZ9XQYv3
Name o-Pyrocatechuic acid, 4-methoxy-6-propyl-, methyl ester, 3-(2-hydroxy-6-propyl-p-anisate)
CAS Registry Number 6161-77-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O8
InChI InChI=1S/C23H28O8/c1-6-8-13-10-15(28-3)12-16(24)18(13)23(27)31-21-17(29-4)11-14(9-7-2)19(20(21)25)22(26)30-5/h10-12,24-25H,6-9H2,1-5H3
InChIKey TVGSPKREJWLKSZ-UHFFFAOYSA-N
Molecular Weight 432.469 g/mol
SMILES Oc1c(c(cc(c1OC(c1c(cc(cc1O)OC)CCC)=O)OC)CCC)C(=O)OC
SPLASH splash10-0006-4900000000-675f0c310bad11c19065
Source of Spectrum SD-1981-0-0
Synonyms Methyl 2-hydroxy-3-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-4-methoxy-6-propylbenzoate 2-Hydroxy-3-(2-hydroxy-4-methoxy-6-propyl-benzoyl)oxy-4-methoxy-6-propyl-benzoic acid methyl ester 2-Hydroxy-3-[(2-hydroxy-4-methoxy-6-propylphenyl)-oxomethoxy]-4-methoxy-6-propylbenzoic acid methyl ester Benzoic acid, 2-hydroxy-3-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-4-methoxy-6-propyl-, methyl ester Methyl 4-methoxy-3-(4-methoxy-2-oxidanyl-6-propyl-phenyl)carbonyloxy-2-oxidanyl-6-propyl-benzoate Methyl 2-hydroxy-3-(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy-4-methoxy-6-propylbenzoate
Wiley ID 1382222