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7-(2-carboxyethyl)-6-decoxy-9-keto-xanthene-2-carboxylic acid
SpectraBase Compound ID JOCjqLEr2FQ
InChI InChI=1S/C27H32O7/c1-2-3-4-5-6-7-8-9-14-33-23-17-24-21(15-18(23)11-13-25(28)29)26(30)20-16-19(27(31)32)10-12-22(20)34-24/h10,12,15-17H,2-9,11,13-14H2,1H3,(H,28,29)(H,31,32)
InChIKey YMZFVEJCCKYUOL-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 LcxnrOA7Yng
Name 7-(2-carboxyethyl)-6-decoxy-9-keto-xanthene-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32O7
InChI InChI=1S/C27H32O7/c1-2-3-4-5-6-7-8-9-14-33-23-17-24-21(15-18(23)11-13-25(28)29)26(30)20-16-19(27(31)32)10-12-22(20)34-24/h10,12,15-17H,2-9,11,13-14H2,1H3,(H,28,29)(H,31,32)
InChIKey YMZFVEJCCKYUOL-UHFFFAOYSA-N
Molecular Weight 468.546 g/mol
SMILES OC(c1ccc2c(C(c3cc(CCC(=O)O)c(cc3O2)OCCCCCCCCCC)=O)c1)=O
SPLASH splash10-0159-0094700000-20da48291a0102f8dd30
Source of Spectrum E1-36-1732-3
Synonyms 7-(2-carboxyethyl)-6-decoxy-9-oxo-2-xanthenecarboxylic acid 7-(2-carboxyethyl)-6-decoxy-9-oxo-xanthene-2-carboxylic acid 7-(2-carboxyethyl)-6-decoxy-9-oxoxanthene-2-carboxylic acid
Wiley ID 1574644