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Pestaloxanthone
SpectraBase Compound ID 8GsGX3yXZrI
InChI InChI=1S/C17H14O7/c1-22-9-5-10(17(21)23-2)14-13(6-9)24-12-4-8(7-18)3-11(19)15(12)16(14)20/h3-6,18-19H,7H2,1-2H3
InChIKey IJUFSGBZRCCKSS-UHFFFAOYSA-N
Mol Weight 330.29 g/mol
Molecular Formula C17H14O7
Exact Mass 330.073953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID f0byzarIes
Name Pestaloxanthone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14O7
InChI InChI=1S/C17H14O7/c1-22-9-5-10(17(21)23-2)14-13(6-9)24-12-4-8(7-18)3-11(19)15(12)16(14)20/h3-6,18-19H,7H2,1-2H3
InChIKey IJUFSGBZRCCKSS-UHFFFAOYSA-N
Molecular Weight 330.292 g/mol
SMILES OCc1cc2Oc3cc(cc(c3C(c2c(c1)O)=O)C(=O)OC)OC
SPLASH splash10-000t-0095000000-6469d679cb0a379d70d8
Source of Spectrum F-68-2305-8
Synonyms 8-hydroxy-6-(hydroxymethyl)-3-methoxy-9-oxo-1-xanthenecarboxylic acid methyl ester methyl 8-hydroxy-6-(hydroxymethyl)-3-methoxy-9-oxoxanthene-1-carboxylate methyl 8-hydroxy-6-(hydroxymethyl)-3-methoxy-9-oxo-xanthene-1-carboxylate methyl 6-(hydroxymethyl)-3-methoxy-8-oxidanyl-9-oxidanylidene-xanthene-1-carboxylate
Wiley ID 1707999