![3-O-(BETA-D-GALACTOPYRANOSYL)-N-(11-CARBOXYUNDECANOYL)-L-SERINE-TETRADECANAMIDE-SODIUM-SALT;II-GAL-SER-[C14]-[C11CO2NA]](/api/spectrum/9xXcIjFOJbi/structure.png?h=300&w=458 "3-O-(BETA-D-GALACTOPYRANOSYL)-N-(11-CARBOXYUNDECANOYL)-L-SERINE-TETRADECANAMIDE-SODIUM-SALT;II-GAL-SER-[C14]-[C11CO2NA]")
| SpectraBase Compound ID | DSbhe1oIxjB |
|---|---|
| InChI | InChI=1S/C35H66N2O10.Na/c1-2-3-4-5-6-7-8-9-12-15-18-21-24-36-34(45)27(26-46-35-33(44)32(43)31(42)28(25-38)47-35)37-29(39)22-19-16-13-10-11-14-17-20-23-30(40)41;/h27-28,31-33,35,38,42-44H,2-26H2,1H3,(H,36,45)(H,37,39)(H,40,41);/q;+1/p-1/t27?,28-,31+,32+,33-,35-;/m0./s1 |
| InChIKey | GUMAUXVIAAADJQ-KUSRDLEDSA-M |
| Mol Weight | 696.9 g/mol |
| Molecular Formula | C35H65N2NaO10 |
| Exact Mass | 696.453691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9xXcIjFOJbi |
|---|---|
| Name | 3-O-(BETA-D-GALACTOPYRANOSYL)-N-(11-CARBOXYUNDECANOYL)-L-SERINE-TETRADECANAMIDE-SODIUM-SALT;II-GAL-SER-[C14]-[C11CO2NA] |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H65N2NaO10 |
| InChI | InChI=1S/C35H66N2O10.Na/c1-2-3-4-5-6-7-8-9-12-15-18-21-24-36-34(45)27(26-46-35-33(44)32(43)31(42)28(25-38)47-35)37-29(39)22-19-16-13-10-11-14-17-20-23-30(40)41;/h27-28,31-33,35,38,42-44H,2-26H2,1H3,(H,36,45)(H,37,39)(H,40,41);/q;+1/p-1/t27?,28-,31+,32+,33-,35-;/m0./s1 |
| InChIKey | GUMAUXVIAAADJQ-KUSRDLEDSA-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 | 696.898 g/mol |
| Sample ID | 44579 |
| Solvent | DMSO-D6 |