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Benzoic acid, 2-hydroxy-3-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-4-methoxy-6-pe ntyl-
SpectraBase Compound ID G28RJlGj5ZY
InChI InChI=1S/C24H30O8/c1-5-7-8-10-15-12-18(31-4)22(21(26)20(15)23(27)28)32-24(29)19-14(9-6-2)11-16(30-3)13-17(19)25/h11-13,25-26H,5-10H2,1-4H3,(H,27,28)
InChIKey WATNDISBDDAASP-UHFFFAOYSA-N
Mol Weight 446.5 g/mol
Molecular Formula C24H30O8
Exact Mass 446.194068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhVDq9USz4x
Name Benzoic acid, 2-hydroxy-3-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-4-methoxy-6-pe ntyl-
CAS Registry Number 486-36-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O8
InChI InChI=1S/C24H30O8/c1-5-7-8-10-15-12-18(31-4)22(21(26)20(15)23(27)28)32-24(29)19-14(9-6-2)11-16(30-3)13-17(19)25/h11-13,25-26H,5-10H2,1-4H3,(H,27,28)
InChIKey WATNDISBDDAASP-UHFFFAOYSA-N
Molecular Weight 446.496 g/mol
SMILES Oc1c(C(Oc2c(c(c(cc2OC)CCCCC)C(=O)O)O)=O)c(cc(c1)OC)CCC
SPLASH splash10-000f-2960000000-3396629fee267c194e47
Source of Spectrum B-28-408-0
Synonyms 2-Hydroxy-3-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-4-methoxy-6-pentylbenzoic acid Homosekikaic acid O-pyrocatechuic acid, 4-methoxy-6-pentyl-, 3-(2-hydroxy-6-propyl-p-anisate) 2-Hydroxy-3-[(2-hydroxy-4-methoxy-6-propylphenyl)-oxomethoxy]-4-methoxy-6-pentylbenzoic acid 2-Hydroxy-3-(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy-4-methoxy-6-pentylbenzoic acid 2-Hydroxy-3-(2-hydroxy-4-methoxy-6-propyl-benzoyl)oxy-4-methoxy-6-pentyl-benzoic acid 4-Methoxy-3-(4-methoxy-2-oxidanyl-6-propyl-phenyl)carbonyloxy-2-oxidanyl-6-pentyl-benzoic acid
Wiley ID 1386590