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3-O-(BETA-D-GALACTOPYRANOSYL)-L-SERINE-11-CARBOXYNDECANAMIDE-SODIUM-SALT;I-GAL-SER-[C11CO2NA]-[NH2]
SpectraBase Compound ID LMmZkJpapuF
InChI InChI=1S/C21H40N2O9.Na/c22-14(13-31-21-19(29)18(28)17(27)15(12-24)32-21)20(30)23-11-9-7-5-3-1-2-4-6-8-10-16(25)26;/h14-15,17-19,21,24,27-29H,1-13,22H2,(H,23,30)(H,25,26);/q;+1/p-1/t14?,15-,17+,18+,19-,21-;/m0./s1
InChIKey FHQOWWGMUBOAER-LMPNWYBASA-M
Mol Weight 486.5 g/mol
Molecular Formula C21H39N2NaO9
Exact Mass 486.255325 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B2oZWwehr3r
Name 3-O-(BETA-D-GALACTOPYRANOSYL)-L-SERINE-11-CARBOXYNDECANAMIDE-SODIUM-SALT;I-GAL-SER-[C11CO2NA]-[NH2]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H39N2NaO9
InChI InChI=1S/C21H40N2O9.Na/c22-14(13-31-21-19(29)18(28)17(27)15(12-24)32-21)20(30)23-11-9-7-5-3-1-2-4-6-8-10-16(25)26;/h14-15,17-19,21,24,27-29H,1-13,22H2,(H,23,30)(H,25,26);/q;+1/p-1/t14?,15-,17+,18+,19-,21-;/m0./s1
InChIKey FHQOWWGMUBOAER-LMPNWYBASA-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 486.538 g/mol
Sample ID 44581
Solvent CD3OD