| SpectraBase Compound ID | ATQ3yL19vrJ |
|---|---|
| InChI | InChI=1S/C28H50N2O30S3/c1-8(33)29-15-20(40)18(38)12(5-52-61(43,44)45)55-26(15)60-25-19(39)13(6-53-62(46,47)48)56-28(22(25)42)59-24-14(7-54-63(49,50)51)57-27(16(21(24)41)30-9(2)34)58-23(11(36)4-32)17(37)10(35)3-31/h10-28,31-32,35-42H,3-7H2,1-2H3,(H,29,33)(H,30,34)(H,43,44,45)(H,46,47,48)(H,49,50,51)/t10-,11+,12-,13-,14+,15-,16+,17+,18-,19+,20-,21+,22-,23-,24-,25+,26+,27-,28+/m0/s1 |
| InChIKey | LPEHSJYFNDGOOI-OHAOGKEQSA-N |
| Mol Weight | 990.9 g/mol |
| Molecular Formula | C28H50N2O30S3 |
| Exact Mass | 990.161052 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 87J7umsWv3x |
|---|---|
| Name | KERATAN-SULPHATE-TETRASACCHARIDE |
| Compound Number | KS4R |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H50N2O30S3 |
| InChI | InChI=1S/C28H50N2O30S3/c1-8(33)29-15-20(40)18(38)12(5-52-61(43,44)45)55-26(15)60-25-19(39)13(6-53-62(46,47)48)56-28(22(25)42)59-24-14(7-54-63(49,50)51)57-27(16(21(24)41)30-9(2)34)58-23(11(36)4-32)17(37)10(35)3-31/h10-28,31-32,35-42H,3-7H2,1-2H3,(H,29,33)(H,30,34)(H,43,44,45)(H,46,47,48)(H,49,50,51)/t10-,11+,12-,13-,14+,15-,16+,17+,18-,19+,20-,21+,22-,23-,24-,25+,26+,27-,28+/m0/s1 |
| InChIKey | LPEHSJYFNDGOOI-OHAOGKEQSA-N |
| Literature Reference Author | T.N.HUCKERBY,J.M.DICKENSON,G.H.TAI,R.M.LAUDER,G.M.BROWN,I.A. NIEDUSZYNSKI |
| Literature Reference Citation | MAGN.RES.CHEM.,31,394(1993) |
| Literature Reference DOI | 10.1002/mrc.1260310416 |
| Molecular Weight | 990.880 g/mol |
| Solvent | D2O |
| Source File Reference | UWMR191 |