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5-(2-carboxyethyl)-6-decoxy-9-keto-xanthene-2-carboxylic acid
SpectraBase Compound ID 5BJYpe6huSP
InChI InChI=1S/C27H32O7/c1-2-3-4-5-6-7-8-9-16-33-22-14-11-20-25(30)21-17-18(27(31)32)10-13-23(21)34-26(20)19(22)12-15-24(28)29/h10-11,13-14,17H,2-9,12,15-16H2,1H3,(H,28,29)(H,31,32)
InChIKey BEMBIACANGICCA-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 CzMs0ZHk3o8
Name 5-(2-carboxyethyl)-6-decoxy-9-keto-xanthene-2-carboxylic acid
Alternate Name(s) 5-(2-carboxyethyl)-6-decoxy-9-oxo-2-xanthenecarboxylic acid 5-(2-carboxyethyl)-6-decoxy-9-oxo-xanthene-2-carboxylic acid 5-(2-carboxyethyl)-6-decoxy-9-oxoxanthene-2-carboxylic acid
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Formula C27H32O7
InChI InChI=1S/C27H32O7/c1-2-3-4-5-6-7-8-9-16-33-22-14-11-20-25(30)21-17-18(27(31)32)10-13-23(21)34-26(20)19(22)12-15-24(28)29/h10-11,13-14,17H,2-9,12,15-16H2,1H3,(H,28,29)(H,31,32)
InChIKey BEMBIACANGICCA-UHFFFAOYSA-N
Molecular Weight 468.546 g/mol
SMILES OC(c1ccc2c(C(c3ccc(c(CCC(=O)O)c3O2)OCCCCCCCCCC)=O)c1)=O
SPLASH splash10-03xr-0039400000-1dc7c2628c255e2cdf6f
Source of Spectrum E1-36-1733-4
Wiley ID 1574641