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Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxopentyl)benzoyl]oxy]-6-propyl-
SpectraBase Compound ID 4rRvDIsodqn
InChI InChI=1S/C23H26O8/c1-4-6-13-9-17(12-18(25)20(13)22(27)28)31-23(29)21-14(8-15(24)7-5-2)10-16(30-3)11-19(21)26/h9-12,25-26H,4-8H2,1-3H3,(H,27,28)
InChIKey AWAOOWRLQZUOBX-UHFFFAOYSA-N
Mol Weight 430.45 g/mol
Molecular Formula C23H26O8
Exact Mass 430.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5nZHFJnfL5K
Name Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxopentyl)benzoyl]oxy]-6-propyl-
Alternate Name(s) 2-Hydroxy-4-{[2-hydroxy-4-methoxy-6-(2-oxopentyl)benzoyl]oxy}-6-propylbenzoic acid 2-Propyl-4-(4'-methoxy-6'-(propylcarbonylmethyl)-2'-hydroxybenzoyloxy)-6-hydroxybenzoic acid Loxodellic acid
CAS Registry Number 67121-37-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O8
InChI InChI=1S/C23H26O8/c1-4-6-13-9-17(12-18(25)20(13)22(27)28)31-23(29)21-14(8-15(24)7-5-2)10-16(30-3)11-19(21)26/h9-12,25-26H,4-8H2,1-3H3,(H,27,28)
InChIKey AWAOOWRLQZUOBX-UHFFFAOYSA-N
Molecular Weight 430.453 g/mol
SMILES Oc1cc(cc(c1C(=O)O)CCC)OC(c1c(cc(cc1O)OC)CC(=O)CCC)=O
SPLASH splash10-01z9-1930000000-c34756f76e984b9a5a8a
Source of Spectrum B-42-1980-2
Wiley ID 1381500