| SpectraBase Compound ID | 1rkiJY8g8S8 |
|---|---|
| InChI | InChI=1S/C18H36N4O10/c1-22-10-7(24)4-29-18(13(10)27)32-16-6(20)2-5(19)15(14(16)28)31-17-9(21)12(26)11(25)8(3-23)30-17/h5-18,22-28H,2-4,19-21H2,1H3/t5-,6+,7+,8+,9+,10-,11+,12+,13+,14-,15?,16-,17+,18+/m0/s1 |
| InChIKey | LKKVGKXCMYHKSL-UGGAUETISA-N |
| Mol Weight | 468.5 g/mol |
| Molecular Formula | C18H36N4O10 |
| Exact Mass | 468.243143 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3tKeinQgQt0 |
|---|---|
| Name | Gentamicin A |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 468.243143365 u |
| Formula | C18H36N4O10 |
| InChI | InChI=1S/C18H36N4O10/c1-22-10-7(24)4-29-18(13(10)27)32-16-6(20)2-5(19)15(14(16)28)31-17-9(21)12(26)11(25)8(3-23)30-17/h5-18,22-28H,2-4,19-21H2,1H3/t5-,6+,7+,8+,9+,10-,11+,12+,13+,14-,15?,16-,17+,18+/m0/s1 |
| InChIKey | LKKVGKXCMYHKSL-UGGAUETISA-N |
| Molecular Weight | 468.504 g/mol |
| SMILES | [C@@]1([C@](O[C@@]([C@@]([C@]1(O)[H])(N)[H])(OC1[C@@]([C@]([C@@](C[C@@]1(N)[H])(N)[H])(O[C@@]1([C@@]([C@]([C@@](CO1)(O)[H])(NC)[H])(O)[H])[H])[H])(O)[H])[H])(CO)[H])(O)[H] |