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5-(2-carboxyethyl)-6-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]-9-oxo-2-xanthenecarboxylic acid
SpectraBase Compound ID JmW742yORrC
InChI InChI=1S/C30H28O8/c1-36-21-10-7-19(8-11-21)6-4-2-3-5-17-37-25-15-12-23-28(33)24-18-20(30(34)35)9-14-26(24)38-29(23)22(25)13-16-27(31)32/h4,6-12,14-15,18H,2-3,5,13,16-17H2,1H3,(H,31,32)(H,34,35)/b6-4+
InChIKey MTTBGOLFCYOWSV-GQCTYLIASA-N
Mol Weight 516.55 g/mol
Molecular Formula C30H28O8
Exact Mass 516.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4DJA16ySFfz
Name 5-(2-carboxyethyl)-6-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]-9-oxo-2-xanthenecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H28O8
InChI InChI=1S/C30H28O8/c1-36-21-10-7-19(8-11-21)6-4-2-3-5-17-37-25-15-12-23-28(33)24-18-20(30(34)35)9-14-26(24)38-29(23)22(25)13-16-27(31)32/h4,6-12,14-15,18H,2-3,5,13,16-17H2,1H3,(H,31,32)(H,34,35)/b6-4+
InChIKey MTTBGOLFCYOWSV-GQCTYLIASA-N
Molecular Weight 516.546 g/mol
SMILES OC(c1ccc2c(C(c3c(c(CCC(=O)O)c(cc3)OCCCC\C=C\c3ccc(cc3)OC)O2)=O)c1)=O
SPLASH splash10-00dj-0900000000-47c2f5774a5aea071d2c
Source of Spectrum E1-36-1733-32
Synonyms 5-(2-carboxyethyl)-6-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]-9-oxo-xanthene-2-carboxylic acid 5-(2-carboxyethyl)-9-keto-6-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]xanthene-2-carboxylic acid 5-(2-carboxyethyl)-6-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]-9-oxoxanthene-2-carboxylic acid
Wiley ID 1574638