![3-O-(BETA-D-GALACTOPYRANOSYL)-N-[3-(2-SULFOETHYLCARBAMOYL)-PROPIONYL]-L-SERINE-TETRADECANAMIDE;II-GAL-SER-[C14]-[C7SO3NA]](/api/spectrum/3GMnLrv5qCD/structure.png?h=300&w=458 "3-O-(BETA-D-GALACTOPYRANOSYL)-N-[3-(2-SULFOETHYLCARBAMOYL)-PROPIONYL]-L-SERINE-TETRADECANAMIDE;II-GAL-SER-[C14]-[C7SO3NA]")
| SpectraBase Compound ID | I3vlDmVJTe0 |
|---|---|
| InChI | InChI=1S/C29H55N3O12S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-31-28(39)21(20-43-29-27(38)26(37)25(36)22(19-33)44-29)32-24(35)15-14-23(34)30-17-18-45(40,41)42;/h21-22,25-27,29,33,36-38H,2-20H2,1H3,(H,30,34)(H,31,39)(H,32,35)(H,40,41,42);/q;+1/p-1/t21?,22-,25+,26+,27-,29-;/m0./s1 |
| InChIKey | UBMXFVBKGDCDAI-VVIAMENNSA-M |
| Mol Weight | 691.8 g/mol |
| Molecular Formula | C29H54N3NaO12S |
| Exact Mass | 691.33259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3GMnLrv5qCD |
|---|---|
| Name | 3-O-(BETA-D-GALACTOPYRANOSYL)-N-[3-(2-SULFOETHYLCARBAMOYL)-PROPIONYL]-L-SERINE-TETRADECANAMIDE;II-GAL-SER-[C14]-[C7SO3NA] |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H54N3NaO12S |
| InChI | InChI=1S/C29H55N3O12S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-31-28(39)21(20-43-29-27(38)26(37)25(36)22(19-33)44-29)32-24(35)15-14-23(34)30-17-18-45(40,41)42;/h21-22,25-27,29,33,36-38H,2-20H2,1H3,(H,30,34)(H,31,39)(H,32,35)(H,40,41,42);/q;+1/p-1/t21?,22-,25+,26+,27-,29-;/m0./s1 |
| InChIKey | UBMXFVBKGDCDAI-VVIAMENNSA-M |
| 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 | 691.810 g/mol |
| Sample ID | 44592 |
| Solvent | CDCl3:CD3OD |