| SpectraBase Compound ID | 1dsRuyoxO2u |
|---|---|
| InChI | InChI=1S/C25H32N2O13/c1-13(28)36-12-18-21(38-14(2)29)22(39-15(3)30)20(24(35-4)40-18)27-23(33)17(10-19(31)32)26-25(34)37-11-16-8-6-5-7-9-16/h5-9,17-18,20-22,24H,10-12H2,1-4H3,(H,26,34)(H,27,33)(H,31,32)/t17-,18-,20+,21-,22-,24-/m0/s1 |
| InChIKey | QLYWKNHDOWEJQI-ORCZGPHOSA-N |
| Mol Weight | 568.5 g/mol |
| Molecular Formula | C25H32N2O13 |
| Exact Mass | 568.190439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AVL0IQEwpAK |
|---|---|
| Name | Methyl 3,4,6-tri-o-acetyl-N-(N-benzyloxycarbonyl-alpha-L-aspartyl)-beta-D-glucosaminide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 568.190439085 u |
| Formula | C25H32N2O13 |
| InChI | InChI=1S/C25H32N2O13/c1-13(28)36-12-18-21(38-14(2)29)22(39-15(3)30)20(24(35-4)40-18)27-23(33)17(10-19(31)32)26-25(34)37-11-16-8-6-5-7-9-16/h5-9,17-18,20-22,24H,10-12H2,1-4H3,(H,26,34)(H,27,33)(H,31,32)/t17-,18-,20+,21-,22-,24-/m0/s1 |
| InChIKey | QLYWKNHDOWEJQI-ORCZGPHOSA-N |
| Molecular Weight | 568.532 g/mol |
| SMILES | C1=CC=C(C=C1)COC(N[C@@](CC(=O)O)(C(=O)N[C@]1([C@](O[C@]([C@@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(COC(=O)C)[H])(OC)[H])[H])[H])=O |