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Perlatolic acid, 2'-O-methyl ether
SpectraBase Compound ID CGJHEGgD5Ff
InChI InChI=1S/C26H34O7/c1-5-7-9-11-17-13-19(31-3)15-21(27)23(17)26(30)33-20-14-18(12-10-8-6-2)24(25(28)29)22(16-20)32-4/h13-16,27H,5-12H2,1-4H3,(H,28,29)
InChIKey BSTCIRYEMDTNQT-UHFFFAOYSA-N
Mol Weight 458.6 g/mol
Molecular Formula C26H34O7
Exact Mass 458.230453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KV0keqnOqep
Name Benzoic acid, 2-hydroxy-4-methoxy-6-pentyl-, 4-carboxy-3-methoxy-5-pentylphenyl ester
CAS Registry Number 38968-07-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O7
InChI InChI=1S/C26H34O7/c1-5-7-9-11-17-13-19(31-3)15-21(27)23(17)26(30)33-20-14-18(12-10-8-6-2)24(25(28)29)22(16-20)32-4/h13-16,27H,5-12H2,1-4H3,(H,28,29)
InChIKey BSTCIRYEMDTNQT-UHFFFAOYSA-N
Molecular Weight 458.551 g/mol
SMILES OC(c1c(cc(OC(c2c(cc(cc2CCCCC)OC)O)=O)cc1CCCCC)OC)=O
SPLASH splash10-003i-0930000000-d1db01e6cfd243045433
Source of Spectrum B-27-1777-6
Synonyms 2'-O-methylperlatolic acid 2-Amyl-4-(2-amyl-6-hydroxy-4-methoxy-benzoyl)oxy-6-methoxy-benzoic acid 2-Methoxy-4-(4-methoxy-2-oxidanyl-6-pentyl-phenyl)carbonyloxy-6-pentyl-benzoic acid 4-[(2-hydroxy-4-methoxy-6-pentylphenyl)-oxomethoxy]-2-methoxy-6-pentylbenzoic acid 4-(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy-2-methoxy-6-pentylbenzoic acid
Wiley ID 1389902