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2-Amyl-3-(2-carbomethoxy-5-hydroxy-3-propyl-phenoxy)-6-hydroxy-4-methoxy-benzoic acid
SpectraBase Compound ID 83uSBi5Lvy1
InChI InChI=1S/C24H30O8/c1-5-7-8-10-16-21(23(27)28)17(26)13-19(30-3)22(16)32-18-12-15(25)11-14(9-6-2)20(18)24(29)31-4/h11-13,25-26H,5-10H2,1-4H3,(H,27,28)
InChIKey FRPPQYVAQHOWFB-UHFFFAOYSA-N
Mol Weight 446.5 g/mol
Molecular Formula C24H30O8
Exact Mass 446.194068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUmbLrTQ7SW
Name 2-Amyl-3-(2-carbomethoxy-5-hydroxy-3-propyl-phenoxy)-6-hydroxy-4-methoxy-benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O8
InChI InChI=1S/C24H30O8/c1-5-7-8-10-16-21(23(27)28)17(26)13-19(30-3)22(16)32-18-12-15(25)11-14(9-6-2)20(18)24(29)31-4/h11-13,25-26H,5-10H2,1-4H3,(H,27,28)
InChIKey FRPPQYVAQHOWFB-UHFFFAOYSA-N
Molecular Weight 446.496 g/mol
SMILES Oc1cc(c(c(Oc2c(c(C(=O)O)c(cc2OC)O)CCCCC)c1)C(=O)OC)CCC
SPLASH splash10-0fba-0711900000-3666179eef4cfb753a01
Source of Spectrum JA-50-1101-0
Synonyms 4-Methoxy-3-(2-methoxycarbonyl-5-oxidanyl-3-propyl-phenoxy)-6-oxidanyl-2-pentyl-benzoic acid 6-Hydroxy-3-(5-hydroxy-2-methoxycarbonyl-3-propylphenoxy)-4-methoxy-2-pentylbenzoic acid
Wiley ID 1386606