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7-(2-carboxyethyl)-6-decoxy-9-keto-xanthene-4-carboxylic acid
SpectraBase Compound ID BQU0fWm1pNR
InChI InChI=1S/C27H32O7/c1-2-3-4-5-6-7-8-9-15-33-22-17-23-21(16-18(22)13-14-24(28)29)25(30)19-11-10-12-20(27(31)32)26(19)34-23/h10-12,16-17H,2-9,13-15H2,1H3,(H,28,29)(H,31,32)
InChIKey DFWRNBXTGYKVTG-UHFFFAOYSA-N
Mol Weight 468.5 g/mol
Molecular Formula C27H32O7
Exact Mass 468.214803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbOIJyP4YKl
Name 7-(2-carboxyethyl)-6-decoxy-9-keto-xanthene-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32O7
InChI InChI=1S/C27H32O7/c1-2-3-4-5-6-7-8-9-15-33-22-17-23-21(16-18(22)13-14-24(28)29)25(30)19-11-10-12-20(27(31)32)26(19)34-23/h10-12,16-17H,2-9,13-15H2,1H3,(H,28,29)(H,31,32)
InChIKey DFWRNBXTGYKVTG-UHFFFAOYSA-N
Molecular Weight 468.546 g/mol
SMILES OC(c1c2c(C(c3cc(CCC(=O)O)c(cc3O2)OCCCCCCCCCC)=O)ccc1)=O
SPLASH splash10-014i-0084900000-582a425168fd7c6bbe72
Source of Spectrum E1-36-1732-1
Synonyms 7-(2-carboxyethyl)-6-decoxy-9-oxo-4-xanthenecarboxylic acid 7-(2-carboxyethyl)-6-decoxy-9-oxo-xanthene-4-carboxylic acid 7-(2-carboxyethyl)-6-decoxy-9-oxoxanthene-4-carboxylic acid
Wiley ID 1574649