| SpectraBase Compound ID | q807i4kfac |
|---|---|
| InChI | InChI=1S/C12H23NO10/c13-5-8(18)6(16)3(1-14)22-12(5)23-10-7(17)4(2-15)21-11(20)9(10)19/h3-12,14-20H,1-2,13H2/t3-,4-,5-,6+,7-,8+,9-,10-,11?,12-/m0/s1 |
| InChIKey | LOPQWUHUIDNGTN-XAUWPDOWSA-N |
| Mol Weight | 341.31 g/mol |
| Molecular Formula | C12H23NO10 |
| Exact Mass | 341.132196 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DgWfX11fcV3 |
|---|---|
| Name | Chondrosine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.132195935 u |
| Formula | C12H23NO10 |
| InChI | InChI=1S/C12H23NO10/c13-5-8(18)6(16)3(1-14)22-12(5)23-10-7(17)4(2-15)21-11(20)9(10)19/h3-12,14-20H,1-2,13H2/t3-,4-,5-,6+,7-,8+,9-,10-,11?,12-/m0/s1 |
| InChIKey | LOPQWUHUIDNGTN-XAUWPDOWSA-N |
| SMILES | N[C@]1([C@]([C@@]([C@@](O[C@]1(O[C@@]1([C@@](C(O[C@]([C@@]1(O)[H])(CO)[H])O)(O)[H])[H])[H])(CO)[H])(O)[H])(O)[H])[H] |