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2-Amyl-3-(3-amyl-2-carbomethoxy-5-hydroxy-phenoxy)-6-hydroxy-4-methoxy-benzoic acid
SpectraBase Compound ID A7A8938QQWY
InChI InChI=1S/C26H34O8/c1-5-7-9-11-16-13-17(27)14-20(22(16)26(31)33-4)34-24-18(12-10-8-6-2)23(25(29)30)19(28)15-21(24)32-3/h13-15,27-28H,5-12H2,1-4H3,(H,29,30)
InChIKey FVGIGMWEANQQSW-UHFFFAOYSA-N
Mol Weight 474.6 g/mol
Molecular Formula C26H34O8
Exact Mass 474.225368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfK14yEH8nD
Name 2-Amyl-3-(3-amyl-2-carbomethoxy-5-hydroxy-phenoxy)-6-hydroxy-4-methoxy-benzoic acid
CAS Registry Number 101910-69-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O8
InChI InChI=1S/C26H34O8/c1-5-7-9-11-16-13-17(27)14-20(22(16)26(31)33-4)34-24-18(12-10-8-6-2)23(25(29)30)19(28)15-21(24)32-3/h13-15,27-28H,5-12H2,1-4H3,(H,29,30)
InChIKey FVGIGMWEANQQSW-UHFFFAOYSA-N
Molecular Weight 474.550 g/mol
SMILES Oc1cc(c(c(Oc2c(c(C(=O)O)c(cc2OC)O)CCCCC)c1)C(=O)OC)CCCCC
SPLASH splash10-001u-0912800000-d6df63b40a1652386431
Source of Spectrum B-42-994-5
Synonyms 4-Methoxy-3-(2-methoxycarbonyl-5-oxidanyl-3-pentyl-phenoxy)-6-oxidanyl-2-pentyl-benzoic acid 6-Hydroxy-3-(5-hydroxy-2-methoxycarbonyl-3-pentylphenoxy)-4-methoxy-2-pentylbenzoic acid
Wiley ID 1393872