| SpectraBase Compound ID | 2VKQ4O0J7bZ |
|---|---|
| InChI | InChI=1S/C29H44N2O21/c1-3-47-23-14(17(40)18(23)41)31-26-20(43)19(42)22(12(7-34)48-26)50-27-21(44)25(16(39)11(6-33)49-27)51-28(45)29(46)4-9(36)13(30-8(2)35)24(52-29)15(38)10(37)5-32/h9-13,15-16,19-22,24-27,31-34,36-39,42-44,46H,3-7H2,1-2H3,(H,30,35)/t9-,10?,11-,12-,13+,15?,16+,19-,20-,21-,22-,24-,25+,26-,27+,29-/m1/s1 |
| InChIKey | KEIABUBGRQRWSA-ZBDDLBMQSA-N |
| Mol Weight | 756.7 g/mol |
| Molecular Formula | C29H44N2O21 |
| Exact Mass | 756.243656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C033dzIYD96 |
|---|---|
| Name | SIALYLLACTOSE_SQUARIC_ACID_COMJUGATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44N2O21 |
| InChI | InChI=1S/C29H44N2O21/c1-3-47-23-14(17(40)18(23)41)31-26-20(43)19(42)22(12(7-34)48-26)50-27-21(44)25(16(39)11(6-33)49-27)51-28(45)29(46)4-9(36)13(30-8(2)35)24(52-29)15(38)10(37)5-32/h9-13,15-16,19-22,24-27,31-34,36-39,42-44,46H,3-7H2,1-2H3,(H,30,35)/t9-,10?,11-,12-,13+,15?,16+,19-,20-,21-,22-,24-,25+,26-,27+,29-/m1/s1 |
| InChIKey | KEIABUBGRQRWSA-ZBDDLBMQSA-N |
| Literature Reference Author | O.BLIXT,T.NORBERG |
| Literature Reference Citation | CARBOHYDR.RES.,319,80(1999) |
| Literature Reference DOI | 10.1016/S0008-6215(99)00135-4 |
| Molecular Weight | 756.669 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ1801 |