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Benzoic acid, 2-hydroxy-4-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-6-(2-oxopentyl)-
SpectraBase Compound ID HP934qGhrg1
InChI InChI=1S/C23H26O8/c1-4-6-13-9-16(30-3)11-19(26)21(13)23(29)31-17-10-14(8-15(24)7-5-2)20(22(27)28)18(25)12-17/h9-12,25-26H,4-8H2,1-3H3,(H,27,28)
InChIKey ZXDBAEWQMGWIQN-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 8bnNJDVohU6
Name Benzoic acid, 2-hydroxy-4-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-6-(2-oxopentyl)-
CAS Registry Number 68671-31-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O8
InChI InChI=1S/C23H26O8/c1-4-6-13-9-16(30-3)11-19(26)21(13)23(29)31-17-10-14(8-15(24)7-5-2)20(22(27)28)18(25)12-17/h9-12,25-26H,4-8H2,1-3H3,(H,27,28)
InChIKey ZXDBAEWQMGWIQN-UHFFFAOYSA-N
Molecular Weight 430.453 g/mol
SMILES Oc1cc(cc(c1C(=O)O)CC(=O)CCC)OC(c1c(cc(cc1CCC)OC)O)=O
SPLASH splash10-00dl-0940000000-e43cf69c109816194209
Source of Spectrum B-42-1981-7
Synonyms 2-(propylcarbonylmethyl)-4-(4'-methoxy-6'-propyl-2'-hydroxybenzoyloxy)-6-hydroxybenzoic acid 2-Hydroxy-4-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-6-(2-oxopentyl)benzoic acid Oxostenosporic acid
Wiley ID 1381501