![3-O-(BETA-D-GALACTOPYRANOSYL)-N-(TETRADECANOYL)-L-SERINE-2-SULFOXYETHANAMIDE-SODIUM-SALT;II-GAL-SER-[C2SO4NA]-[C14]](/api/spectrum/KJtzMChDydZ/structure.png?h=300&w=458 "3-O-(BETA-D-GALACTOPYRANOSYL)-N-(TETRADECANOYL)-L-SERINE-2-SULFOXYETHANAMIDE-SODIUM-SALT;II-GAL-SER-[C2SO4NA]-[C14]")
| SpectraBase Compound ID | GT2E91YUMoR |
|---|---|
| InChI | InChI=1S/C25H48N2O12S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(29)27-18(24(33)26-14-15-38-40(34,35)36)17-37-25-23(32)22(31)21(30)19(16-28)39-25;/h18-19,21-23,25,28,30-32H,2-17H2,1H3,(H,26,33)(H,27,29)(H,34,35,36);/q;+1/p-1/t18?,19-,21+,22+,23-,25-;/m0./s1 |
| InChIKey | XPUFKHIQCQIUGH-ZCMKDQJTSA-M |
| Mol Weight | 622.7 g/mol |
| Molecular Formula | C25H47N2NaO12S |
| Exact Mass | 622.27474 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KJtzMChDydZ |
|---|---|
| Name | 3-O-(BETA-D-GALACTOPYRANOSYL)-N-(TETRADECANOYL)-L-SERINE-2-SULFOXYETHANAMIDE-SODIUM-SALT;II-GAL-SER-[C2SO4NA]-[C14] |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H47N2NaO12S |
| InChI | InChI=1S/C25H48N2O12S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(29)27-18(24(33)26-14-15-38-40(34,35)36)17-37-25-23(32)22(31)21(30)19(16-28)39-25;/h18-19,21-23,25,28,30-32H,2-17H2,1H3,(H,26,33)(H,27,29)(H,34,35,36);/q;+1/p-1/t18?,19-,21+,22+,23-,25-;/m0./s1 |
| InChIKey | XPUFKHIQCQIUGH-ZCMKDQJTSA-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 | 622.704 g/mol |
| Sample ID | 44574 |
| Solvent | CDCl3:CD3OD=1:1 |