| SpectraBase Compound ID | CCsbrQD6mZX |
|---|---|
| InChI | InChI=1S/C17H26N2O11/c1-7(20)27-6-11-14(28-8(2)21)15(29-9(3)22)13(17(26-4)30-11)19-16(25)10(18)5-12(23)24/h10-11,13-15,17H,5-6,18H2,1-4H3,(H,19,25)(H,23,24)/t10-,11-,13+,14-,15-,17-/m0/s1 |
| InChIKey | CKPVLYIQNUIOBB-OECIDTRNSA-N |
| Mol Weight | 434.4 g/mol |
| Molecular Formula | C17H26N2O11 |
| Exact Mass | 434.15366 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GLVZzcXWS5l |
|---|---|
| Name | Methyl 3,4,6-tri-o-acetyl-N-(alpha-L-aspartyl)-beta-D-glucosaminide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 434.153659654 u |
| Formula | C17H26N2O11 |
| InChI | InChI=1S/C17H26N2O11/c1-7(20)27-6-11-14(28-8(2)21)15(29-9(3)22)13(17(26-4)30-11)19-16(25)10(18)5-12(23)24/h10-11,13-15,17H,5-6,18H2,1-4H3,(H,19,25)(H,23,24)/t10-,11-,13+,14-,15-,17-/m0/s1 |
| InChIKey | CKPVLYIQNUIOBB-OECIDTRNSA-N |
| Molecular Weight | 434.398 g/mol |
| SMILES | C(C(O)=O)[C@@](C(N[C@]1([C@](O[C@]([C@@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(COC(C)=O)[H])(OC)[H])[H])=O)(N)[H] |