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Benzoic acid, 2,4-dihydroxy-6-pentyl-, 4-carboxy-3-hydroxy-5-pentylphenyl ester
SpectraBase Compound ID GzYZYB6KSXQ
InChI InChI=1S/C24H30O7/c1-3-5-7-9-15-11-17(25)13-19(26)22(15)24(30)31-18-12-16(10-8-6-4-2)21(23(28)29)20(27)14-18/h11-14,25-27H,3-10H2,1-2H3,(H,28,29)
InChIKey BEFYPHLCGVCBFF-UHFFFAOYSA-N
Mol Weight 430.5 g/mol
Molecular Formula C24H30O7
Exact Mass 430.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EafEpGLjb8M
Name Benzoic acid, 2,4-dihydroxy-6-pentyl-, 4-carboxy-3-hydroxy-5-pentylphenyl ester
CAS Registry Number 641-68-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O7
InChI InChI=1S/C24H30O7/c1-3-5-7-9-15-11-17(25)13-19(26)22(15)24(30)31-18-12-16(10-8-6-4-2)21(23(28)29)20(27)14-18/h11-14,25-27H,3-10H2,1-2H3,(H,28,29)
InChIKey BEFYPHLCGVCBFF-UHFFFAOYSA-N
Molecular Weight 430.497 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2CCCCC)O)O)=O)cc(c1C(=O)O)CCCCC
SPLASH splash10-0kmi-0930000000-ec02eff30cb8cee5f6aa
Source of Spectrum B-27-1776-1
Synonyms Anziaic acid 4-[(2,4-dihydroxy-6-pentylbenzoyl)oxy]-2-hydroxy-6-pentylbenzoic acid 4-[(2,4-dihydroxy-6-pentylphenyl)-oxomethoxy]-2-hydroxy-6-pentylbenzoic acid 4-(2,4-dihydroxy-6-pentylbenzoyl)oxy-2-hydroxy-6-pentylbenzoic acid 4-(2,4-dihydroxy-6-pentyl-benzoyl)oxy-2-hydroxy-6-pentyl-benzoic acid 4-[2,4-bis(oxidanyl)-6-pentyl-phenyl]carbonyloxy-2-oxidanyl-6-pentyl-benzoic acid
Wiley ID 1381545