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Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(3-oxopentyl)benzoyl]oxy]-6-(3-oxopentyl)-
SpectraBase Compound ID 8YXozC0IoaK
InChI InChI=1S/C25H28O9/c1-4-6-16(26)8-14-11-19(13-20(28)22(14)24(30)31)34-25(32)23-15(9-17(27)7-5-2)10-18(33-3)12-21(23)29/h10-13,28-29H,4-9H2,1-3H3,(H,30,31)
InChIKey QZZMDINWSWWNKM-UHFFFAOYSA-N
Mol Weight 472.49 g/mol
Molecular Formula C25H28O9
Exact Mass 472.173332 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66wgaVAJIBK
Name Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(3-oxopentyl)benzoyl]oxy]-6-(3-oxopentyl)-
CAS Registry Number 52589-14-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O9
InChI InChI=1S/C25H28O9/c1-4-6-16(26)8-14-11-19(13-20(28)22(14)24(30)31)34-25(32)23-15(9-17(27)7-5-2)10-18(33-3)12-21(23)29/h10-13,28-29H,4-9H2,1-3H3,(H,30,31)
InChIKey QZZMDINWSWWNKM-UHFFFAOYSA-N
Molecular Weight 472.490 g/mol
SMILES Oc1cc(cc(c1C(=O)O)CC(=O)CCC)OC(c1c(cc(cc1O)OC)CC(=O)CCC)=O
SPLASH splash10-0h9r-5930000000-a2a23830657ccf759aa8
Source of Spectrum B-42-1981-3
Synonyms 2-(propylcarbonylmethyl)-4-(4'-methoxy-6'-(propylcarbonylmethyl)-2'-hydroxybenzoyloxy)-6-hydroxybenzoic acid 2-Hydroxy-4-{[2-hydroxy-4-methoxy-6-(2-oxopentyl)benzoyl]oxy}-6-(2-oxopentyl)benzoic acid Glomellic acid
Wiley ID 1393318