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5-(2-carboxyethyl)-6-decoxy-9-keto-xanthene-4-carboxylic acid
SpectraBase Compound ID AxNGQkDATdb
InChI InChI=1S/C27H32O7/c1-2-3-4-5-6-7-8-9-17-33-22-15-13-20-24(30)19-11-10-12-21(27(31)32)26(19)34-25(20)18(22)14-16-23(28)29/h10-13,15H,2-9,14,16-17H2,1H3,(H,28,29)(H,31,32)
InChIKey VAMCGJRKCWNQJX-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 KDDxAyY2OUG
Name 5-(2-carboxyethyl)-6-decoxy-9-keto-xanthene-4-carboxylic acid
Alternate Name(s) 5-(2-carboxyethyl)-6-decoxy-9-oxo-4-xanthenecarboxylic acid 5-(2-carboxyethyl)-6-decoxy-9-oxo-xanthene-4-carboxylic acid 5-(2-carboxyethyl)-6-decoxy-9-oxoxanthene-4-carboxylic acid
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Formula C27H32O7
InChI InChI=1S/C27H32O7/c1-2-3-4-5-6-7-8-9-17-33-22-15-13-20-24(30)19-11-10-12-21(27(31)32)26(19)34-25(20)18(22)14-16-23(28)29/h10-13,15H,2-9,14,16-17H2,1H3,(H,28,29)(H,31,32)
InChIKey VAMCGJRKCWNQJX-UHFFFAOYSA-N
Molecular Weight 468.546 g/mol
SMILES OC(c1c2c(C(c3ccc(c(CCC(=O)O)c3O2)OCCCCCCCCCC)=O)ccc1)=O
SPLASH splash10-02ai-0296400000-f04fccb85f1c6b8546e1
Source of Spectrum E1-36-1732-2
Wiley ID 1574648