TPCN02456
![[object Object]](../../static/browser_molecular_png/TPCN02456.png)
| Name | N-deethylaconitine |
| Molecular Formula | C32H43NO11 |
| Molecular Weight | 617.69 |
| CAS Registry Number | 3327-35-3 |
| SMILES | COCC12CNC3C4C(OC)C1C3(C(OC)CC2O)C1CC2(O)C(OC)C(O)C4(OC(C)=O)C1C2OC(=O)c1ccccc1 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Ranunculaceae | Aconitum duclouxii | Roots | 0.001162% | Nat Prod Res 28, 1649-1654 (2014). | 10.1080/14786419.2014.927463 |
| Ranunculaceae | Aconitum brachypodum | Roots | 0.000223% | J Asian Nat Prod Res 18, 908-912 (2016). | 10.1080/10286020.2016.1173677 |
Properties
| HBA | 12 | HBD | 4 |
| HeavyAtoms | 44 | AlogP | -0.08 |
| TPSA | 162.24 | RotatableBonds | 8 |
| FractionCSP3 | 0.75 | Rings | 7 |
| AromaticRings | 1 | AliphaticRings | 6 |