| SpectraBase Compound ID | 43GTIMfypYf |
|---|---|
| InChI | InChI=1S/C36H57N3O/c1(3-5-9-13-20-32-22-18-27-37-30-32)2-4-8-12-16-29-39-35-25-17-24-34(35)36(40-39)26-15-11-7-6-10-14-21-33-23-19-28-38-31-33/h18-19,22-23,27-28,30-31,34-36H,1-17,20-21,24-26,29H2/t34-,35+,36-/m0/s1 |
| InChIKey | GANNNSHITAYEIE-PDHQKIGBSA-N |
| Mol Weight | 547.9 g/mol |
| Molecular Formula | C36H57N3O |
| Exact Mass | 547.450163 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BDPnM12IdEw |
|---|---|
| Name | Pyrinodemin D |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 547.450163466 u |
| Formula | C36H57N3O |
| InChI | InChI=1S/C36H57N3O/c1(3-5-9-13-20-32-22-18-27-37-30-32)2-4-8-12-16-29-39-35-25-17-24-34(35)36(40-39)26-15-11-7-6-10-14-21-33-23-19-28-38-31-33/h18-19,22-23,27-28,30-31,34-36H,1-17,20-21,24-26,29H2/t34-,35+,36-/m0/s1 |
| InChIKey | GANNNSHITAYEIE-PDHQKIGBSA-N |
| Molecular Weight | 547.872 g/mol |
| SMILES | [C@@]1(ON([C@]2([C@@]1(CCC2)[H])[H])CCCCCCCCCCCCC1=CN=CC=C1)(CCCCCCCCC=1C=NC=CC1)[H] |