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Perlatolic acid
SpectraBase Compound ID KbInbZtooR4
InChI InChI=1S/C25H32O7/c1-4-6-8-10-16-13-19(15-20(26)22(16)24(28)29)32-25(30)23-17(11-9-7-5-2)12-18(31-3)14-21(23)27/h12-15,26-27H,4-11H2,1-3H3,(H,28,29)
InChIKey UTAQXQVSEKIWBB-UHFFFAOYSA-N
Mol Weight 444.5 g/mol
Molecular Formula C25H32O7
Exact Mass 444.214803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cd6Rkt7lgpi
Name 2-Amyl-4-(2-amyl-6-hydroxy-4-methoxy-benzoyl)oxy-6-hydroxy-benzoic acid
CAS Registry Number 529-47-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O7
InChI InChI=1S/C25H32O7/c1-4-6-8-10-16-13-19(15-20(26)22(16)24(28)29)32-25(30)23-17(11-9-7-5-2)12-18(31-3)14-21(23)27/h12-15,26-27H,4-11H2,1-3H3,(H,28,29)
InChIKey UTAQXQVSEKIWBB-UHFFFAOYSA-N
Molecular Weight 444.524 g/mol
SMILES Oc1cc(cc(c1C(=O)O)CCCCC)OC(c1c(cc(cc1CCCCC)OC)O)=O
SPLASH splash10-01w0-0920000000-1472f69bf337899a2f0d
Source of Spectrum Va-0-0-0
Synonyms 2-Hydroxy-4-[(2-hydroxy-4-methoxy-6-pentylphenyl)-oxomethoxy]-6-pentylbenzoic acid 4-(4-Methoxy-2-oxidanyl-6-pentyl-phenyl)carbonyloxy-2-oxidanyl-6-pentyl-benzoic acid Perlatolinic acid 2-Hydroxy-4-(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy-6-pentylbenzoic acid
Wiley ID 739853