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Benzoic acid, 2-hydroxy-3-[(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy]-4-methoxy-6-propyl-
SpectraBase Compound ID B2dGrOgI0Fq
InChI InChI=1S/C22H26O8/c1-5-7-12-9-14(23)11-15(28-3)17(12)22(27)30-20-16(29-4)10-13(8-6-2)18(19(20)24)21(25)26/h9-11,23-24H,5-8H2,1-4H3,(H,25,26)
InChIKey PMTPDCTYVRVNCB-UHFFFAOYSA-N
Mol Weight 418.44 g/mol
Molecular Formula C22H26O8
Exact Mass 418.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pR2RlZh3sU
Name Benzoic acid, 2-hydroxy-3-[(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy]-4-methoxy-6-propyl-
CAS Registry Number 69563-43-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O8
InChI InChI=1S/C22H26O8/c1-5-7-12-9-14(23)11-15(28-3)17(12)22(27)30-20-16(29-4)10-13(8-6-2)18(19(20)24)21(25)26/h9-11,23-24H,5-8H2,1-4H3,(H,25,26)
InChIKey PMTPDCTYVRVNCB-UHFFFAOYSA-N
Molecular Weight 418.442 g/mol
SMILES Oc1c(c(cc(c1C(O)=O)CCC)OC)OC(c1c(cc(cc1OC)O)CCC)=O
SPLASH splash10-054x-5920000000-402513893591f5a5a87b
Source of Spectrum B-31-2748-0
Synonyms 2-Hydroxy-3-[(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy]-4-methoxy-6-propylbenzoic acid 2-Hydroxy-3-[(4-hydroxy-2-methoxy-6-propylphenyl)-oxomethoxy]-4-methoxy-6-propylbenzoic acid 4-Methoxy-3-(2-methoxy-4-oxidanyl-6-propyl-phenyl)carbonyloxy-2-oxidanyl-6-propyl-benzoic acid 2-Hydroxy-3-(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy-4-methoxy-6-propylbenzoic acid
Wiley ID 1377133