2HGO
NMR structure of Cassiicolin
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Bruker | AVANCE | 600 | |
| 2 | Bruker | AVANCE | 500 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 2D NOESY |
| 2 | 1 | 1 | 2D TOCSY |
| 3 | 1 | 2 | 2D NOESY |
| 4 | 1 | 2 | DQF-COSY |
| 5 | 2 | 1 | 2D_15N-separated_HSQC |
| 6 | 3 | 2 | 2D_13C-separated_HSQC |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 3.3 | ambient | 290 |
| 2 | 3.3 | ambient | 300 |
| 3 | 3.3 | ambient | 310 |
Conformers
| Conformers Calculated Total Number | 30 |
| Conformers Submitted Total Number | 20 |
