| SpectraBase Compound ID | 8U2dOdL9D2C |
|---|---|
| InChI | InChI=1S/C27H41NO10/c1-4-5-6-7-11-14-22(32)37-21-15-27(35-3,26(34)36-17-19-12-9-8-10-13-19)38-25(23(21)28-18(2)30)24(33)20(31)16-29/h8-10,12-13,20-21,23-25,29,31,33H,4-7,11,14-17H2,1-3H3,(H,28,30)/t20-,21+,23-,24-,25-,27-/m1/s1 |
| InChIKey | RQIXELCGCGLJIK-MRACMEISSA-N |
| Mol Weight | 539.6 g/mol |
| Molecular Formula | C27H41NO10 |
| Exact Mass | 539.273047 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6KKbyEeO1tH |
|---|---|
| Name | BENZYL-2-ALPHA-O-METHYL-4-O-CAPRILOYL-5-N-ACETYL-NEURAMINATE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H41NO10 |
| InChI | InChI=1S/C27H41NO10/c1-4-5-6-7-11-14-22(32)37-21-15-27(35-3,26(34)36-17-19-12-9-8-10-13-19)38-25(23(21)28-18(2)30)24(33)20(31)16-29/h8-10,12-13,20-21,23-25,29,31,33H,4-7,11,14-17H2,1-3H3,(H,28,30)/t20-,21+,23-,24-,25-,27-/m1/s1 |
| InChIKey | RQIXELCGCGLJIK-MRACMEISSA-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 | 539.623 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN7378 |