| SpectraBase Compound ID | 8QZksOQhbjr |
|---|---|
| InChI | InChI=1S/C20H27BN2O10/c1-3-15(27)23-12-6-4-5-11(7-12)21-32-14(9-24)17(33-21)18-16(22-10(2)25)13(26)8-20(30,31-18)19(28)29/h4-7,13-14,16-18,24,26,30H,3,8-9H2,1-2H3,(H,22,25)(H,23,27)(H,28,29)/t13-,14+,16+,17+,18+,20-/m0/s1 |
| InChIKey | DSMBYYYBIMCXOF-BQRJKJETSA-N |
| Mol Weight | 466.3 g/mol |
| Molecular Formula | C20H27BN2O10 |
| Exact Mass | 466.175875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IeD8FXu5EHI |
|---|---|
| Name | N-ACETYLNEURAMINIC-ACID*3-(PROPIONAMIDO)-PHENYLBORONIC-ACID;COMPLEX |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H27BN2O10 |
| InChI | InChI=1S/C20H27BN2O10/c1-3-15(27)23-12-6-4-5-11(7-12)21-32-14(9-24)17(33-21)18-16(22-10(2)25)13(26)8-20(30,31-18)19(28)29/h4-7,13-14,16-18,24,26,30H,3,8-9H2,1-2H3,(H,22,25)(H,23,27)(H,28,29)/t13-,14+,16+,17+,18+,20-/m0/s1 |
| InChIKey | DSMBYYYBIMCXOF-BQRJKJETSA-N |
| Literature Reference Author | H.OTSUKA,E.UCHIMURA,H.KOSHINO,T.OKANO,K.KATAOKA |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,3493(2003) |
| Literature Reference DOI | 10.1021/ja021303r |
| Molecular Weight | 466.252 g/mol |
| Sample ID | 30245 |
| Solvent | D2O;PD=7.4 |