| SpectraBase Compound ID | GseRTGFA5gH |
|---|---|
| InChI | InChI=1S/C34H52N2O11/c1-24(37)35-29-26(45-28(38)15-11-6-5-7-12-16-36-17-19-42-20-18-36)21-34(41-4,32(40)43-22-25-13-9-8-10-14-25)47-31(29)30(39)27-23-44-33(2,3)46-27/h8-10,13-14,26-27,29-31,39H,5-7,11-12,15-23H2,1-4H3,(H,35,37)/t26-,27-,29+,30+,31+,34+/m0/s1 |
| InChIKey | XBRBCEZMQMCEHR-NRNHFYJNSA-N |
| Mol Weight | 664.8 g/mol |
| Molecular Formula | C34H52N2O11 |
| Exact Mass | 664.35711 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ad5fRUwRpO3 |
|---|---|
| Name | BENZYL-2-ALPHA-O-METHYL-4-O-(8-MORPHOLIN)-CAPRILOYL-5-N-ACETYL-8,9-O-ISOPROPYLIDENE-NEURAMINATE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H52N2O11 |
| InChI | InChI=1S/C34H52N2O11/c1-24(37)35-29-26(45-28(38)15-11-6-5-7-12-16-36-17-19-42-20-18-36)21-34(41-4,32(40)43-22-25-13-9-8-10-14-25)47-31(29)30(39)27-23-44-33(2,3)46-27/h8-10,13-14,26-27,29-31,39H,5-7,11-12,15-23H2,1-4H3,(H,35,37)/t26-,27-,29+,30+,31+,34+/m0/s1 |
| InChIKey | XBRBCEZMQMCEHR-NRNHFYJNSA-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 | 664.794 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN7380 |