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Benzoic acid, 2-hydroxy-4-[(4-hydroxy-2-methoxy-6-pentylbenzoyl)oxy]-6-pentyl-
SpectraBase Compound ID JbGo4R4JtEL
InChI InChI=1S/C25H32O7/c1-4-6-8-10-16-12-18(26)14-21(31-3)23(16)25(30)32-19-13-17(11-9-7-5-2)22(24(28)29)20(27)15-19/h12-15,26-27H,4-11H2,1-3H3,(H,28,29)
InChIKey FMCKRJSNUOIOOJ-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 5CYM0oMSSCN
Name Benzoic acid, 2-hydroxy-4-[(4-hydroxy-2-methoxy-6-pentylbenzoyl)oxy]-6-pentyl-
CAS Registry Number 19314-66-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O7
InChI InChI=1S/C25H32O7/c1-4-6-8-10-16-12-18(26)14-21(31-3)23(16)25(30)32-19-13-17(11-9-7-5-2)22(24(28)29)20(27)15-19/h12-15,26-27H,4-11H2,1-3H3,(H,28,29)
InChIKey FMCKRJSNUOIOOJ-UHFFFAOYSA-N
Molecular Weight 444.524 g/mol
SMILES Oc1cc(cc(c1C(=O)O)CCCCC)OC(c1c(cc(cc1CCCCC)O)OC)=O
SPLASH splash10-00dr-0920000000-56ca79d3e12c88959f94
Source of Spectrum B-27-1776-3
Synonyms .beta.-resorcylic acid, 6-pentyl-, 4-(4-hydroxy-6-pentyl-O-anisate) 2-Hydroxy-4-[(4-hydroxy-2-methoxy-6-pentylbenzoyl)oxy]-6-pentylbenzoic acid Dihydropicrolichenic acid
Wiley ID 1386026