| SpectraBase Compound ID | 81nDwwjlhzA |
|---|---|
| InChI | InChI=1S/C21H36N2O3/c1-14(2)17-8-7-16(4)21(10-9-15(3)11-21)20(17)22-18(24)12-23(5)13-19(25)26-6/h11,14,16-17,20H,7-10,12-13H2,1-6H3,(H,22,24)/t16?,17-,20?,21?/m0/s1 |
| InChIKey | JWROISLFQFHVRT-MXTKIGNMSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C21H36N2O3 |
| Exact Mass | 364.272593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1yHv5iF2Bvn |
|---|---|
| Name | Exigurin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.272593024 u |
| Formula | C21H36N2O3 |
| InChI | InChI=1S/C21H36N2O3/c1-14(2)17-8-7-16(4)21(10-9-15(3)11-21)20(17)22-18(24)12-23(5)13-19(25)26-6/h11,14,16-17,20H,7-10,12-13H2,1-6H3,(H,22,24)/t16?,17-,20?,21?/m0/s1 |
| InChIKey | JWROISLFQFHVRT-MXTKIGNMSA-N |
| Molecular Weight | 364.530 g/mol |
| SMILES | C12(C([C@@](CCC2C)(C(C)C)[H])NC(=O)CN(CC(=O)OC)C)C=C(C)CC1 |