| SpectraBase Compound ID | C1eAeyYEvve |
|---|---|
| InChI | InChI=1S/C20H35NO10/c1-4-5-6-7-8-9-15(25)30-14-10-20(29-3,19(27)28)31-18(16(14)21-12(2)23)17(26)13(24)11-22/h13-14,16-18,22,24,26H,4-11H2,1-3H3,(H,21,23)(H,27,28)/t13-,14+,16-,17-,18-,20-/m1/s1 |
| InChIKey | STPVOEUDMZOHQD-OQOVLKHYSA-N |
| Mol Weight | 449.5 g/mol |
| Molecular Formula | C20H35NO10 |
| Exact Mass | 449.226096 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FlKtZRZYyTY |
|---|---|
| Name | 2-ALPHA-O-METHYL-4-O-CAPRILOYL-5-N-ACETYL-NEURAMINIC-ACID |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H35NO10 |
| InChI | InChI=1S/C20H35NO10/c1-4-5-6-7-8-9-15(25)30-14-10-20(29-3,19(27)28)31-18(16(14)21-12(2)23)17(26)13(24)11-22/h13-14,16-18,22,24,26H,4-11H2,1-3H3,(H,21,23)(H,27,28)/t13-,14+,16-,17-,18-,20-/m1/s1 |
| InChIKey | STPVOEUDMZOHQD-OQOVLKHYSA-N |
| Literature Reference Author | A.BIANCO,M.BRUFANI,R.CIABATTI,C.MELCHIONI,V.PASQUALI |
| Literature Reference Citation | MOLECULES_ONLINE,2,129(1998) |
| Literature Reference DOI | 10.1007/s007830050068 |
| Molecular Weight | 449.499 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN7379 |