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Benzoic acid, 2,4-dihydroxy-3-[(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy]-6-pentyl-
SpectraBase Compound ID E7IfW8woowx
InChI InChI=1S/C23H28O8/c1-4-6-7-9-14-11-16(25)21(20(26)19(14)22(27)28)31-23(29)18-13(8-5-2)10-15(24)12-17(18)30-3/h10-12,24-26H,4-9H2,1-3H3,(H,27,28)
InChIKey GCOSLHRJBVGUAR-UHFFFAOYSA-N
Mol Weight 432.47 g/mol
Molecular Formula C23H28O8
Exact Mass 432.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zjlQ5Dy6xB
Name Benzoic acid, 2,4-dihydroxy-3-[(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy]-6-pentyl-
CAS Registry Number 19833-81-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O8
InChI InChI=1S/C23H28O8/c1-4-6-7-9-14-11-16(25)21(20(26)19(14)22(27)28)31-23(29)18-13(8-5-2)10-15(24)12-17(18)30-3/h10-12,24-26H,4-9H2,1-3H3,(H,27,28)
InChIKey GCOSLHRJBVGUAR-UHFFFAOYSA-N
Molecular Weight 432.469 g/mol
SMILES Oc1cc(c(C(Oc2c(c(C(=O)O)c(cc2O)CCCCC)O)=O)c(c1)CCC)OC
SPLASH splash10-007f-4950000000-ed15edf45b89ece2ab04
Source of Spectrum B-28-410-0
Synonyms 2,4-Dihydroxy-3-[(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy]-6-pentylbenzoic acid 4-O-Demethylmerochloropheic acid O-anisic acid, 4-hydroxy-6-propyl-, 3-ester with 2,3,4-trihydroxy-6-pentylbenzoic acid Paludosic acid 2,4-Dihydroxy-3-[(4-hydroxy-2-methoxy-6-propylphenyl)-oxomethoxy]-6-pentylbenzoic acid 2,4-Dihydroxy-3-(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy-6-pentylbenzoic acid 2,4-Dihydroxy-3-(4-hydroxy-2-methoxy-6-propyl-benzoyl)oxy-6-pentyl-benzoic acid 3-(2-Methoxy-4-oxidanyl-6-propyl-phenyl)carbonyloxy-2,4-bis(oxidanyl)-6-pentyl-benzoic acid
Wiley ID 1382227