![3-O-(BETA-D-GALACTOPYRANOSYL)-N-(3-CARBOXYPROPIONYL)-L-SERINE-11-CARBOXYUNDECANAMIDE-SODIUM-SALT;II-GAL-SER-[C11CO2NA]-[C3CO2NA]](/api/spectrum/IWiPsjL1M25/structure.png?h=300&w=458 "3-O-(BETA-D-GALACTOPYRANOSYL)-N-(3-CARBOXYPROPIONYL)-L-SERINE-11-CARBOXYUNDECANAMIDE-SODIUM-SALT;II-GAL-SER-[C11CO2NA]-[C3CO2NA]")
| SpectraBase Compound ID | KCiBplpRCWQ |
|---|---|
| InChI | InChI=1S/C25H44N2O12.2Na/c28-14-17-21(34)22(35)23(36)25(39-17)38-15-16(27-18(29)11-12-20(32)33)24(37)26-13-9-7-5-3-1-2-4-6-8-10-19(30)31;;/h16-17,21-23,25,28,34-36H,1-15H2,(H,26,37)(H,27,29)(H,30,31)(H,32,33);;/q;2*+1/p-2/t16?,17-,21+,22+,23-,25-;;/m0../s1 |
| InChIKey | LGPXDWVPIBHIMC-YNOUSMSUSA-L |
| Mol Weight | 608.59253856 g/mol |
| Molecular Formula | C25H42N2Na2O12 |
| Exact Mass | 608.253313 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IWiPsjL1M25 |
|---|---|
| Name | 3-O-(BETA-D-GALACTOPYRANOSYL)-N-(3-CARBOXYPROPIONYL)-L-SERINE-11-CARBOXYUNDECANAMIDE-SODIUM-SALT;II-GAL-SER-[C11CO2NA]-[C3CO2NA] |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H42N2Na2O12 |
| InChI | InChI=1S/C25H44N2O12.2Na/c28-14-17-21(34)22(35)23(36)25(39-17)38-15-16(27-18(29)11-12-20(32)33)24(37)26-13-9-7-5-3-1-2-4-6-8-10-19(30)31;;/h16-17,21-23,25,28,34-36H,1-15H2,(H,26,37)(H,27,29)(H,30,31)(H,32,33);;/q;2*+1/p-2/t16?,17-,21+,22+,23-,25-;;/m0../s1 |
| InChIKey | LGPXDWVPIBHIMC-YNOUSMSUSA-L |
| Literature Reference Author | B.FAROUX-CORLAY,J.GREINER,R.TERREUX,D.CABROL-BASS,A.M.AUBERT IN,P.VIERLING,J.FANT |
| Literature Reference Citation | J.MED.CHEM.,44,2188(2001) |
| Literature Reference DOI | 10.1021/jm0011124 |
| Molecular Weight | 608.594 g/mol |
| Sample ID | 44584 |
| Solvent | D2O |