| SpectraBase Compound ID | LyX1PReKNpH |
|---|---|
| InChI | InChI=1S/C28H38N4O2/c33-27-23-26(25-13-5-2-6-14-25)30-19-9-18-29-17-7-8-21-32(22-10-20-31-27)28(34)16-15-24-11-3-1-4-12-24/h1-6,11-16,26,29-30H,7-10,17-23H2,(H,31,33)/b16-15+/t26-/m0/s1 |
| InChIKey | ASBBGSDFHKCHMP-OXVFXORMSA-N |
| Mol Weight | 462.6 g/mol |
| Molecular Formula | C28H38N4O2 |
| Exact Mass | 462.299476 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 | oDTDbdiI8S |
|---|---|
| Name | 7',8'-Trans-verbacine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 462.299476478 u |
| Formula | C28H38N4O2 |
| InChI | InChI=1S/C28H38N4O2/c33-27-23-26(25-13-5-2-6-14-25)30-19-9-18-29-17-7-8-21-32(22-10-20-31-27)28(34)16-15-24-11-3-1-4-12-24/h1-6,11-16,26,29-30H,7-10,17-23H2,(H,31,33)/b16-15+/t26-/m0/s1 |
| InChIKey | ASBBGSDFHKCHMP-OXVFXORMSA-N |
| Molecular Weight | 462.638 g/mol |
| SMILES | C(N1CCCNC(C[C@](NCCCNCCCC1)(C=1C=CC=CC1)[H])=O)(\C=C\C=1C=CC=CC1)=O |