TPCN02822
![[object Object]](../../static/browser_molecular_png/TPCN02822.png)
| Name | N-deethyl3-acetylaconitine |
| Molecular Formula | C33H45NO11 |
| Molecular Weight | 631.72 |
| CAS Registry Number | 2185868-89-5 |
| SMILES | COCC12CNC3C4C(OC)C1C3(C(OC)CC2OC(C)=O)C1CC2(O)C(OC)C(O)C4(OC)C1C2OC(=O)c1ccccc1 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Ranunculaceae | Aconitum brachypodum | Roots | 0.000238% | J Asian Nat Prod Res 18, 908-912 (2016). | 10.1080/10286020.2016.1173677 |
Properties
| HBA | 12 | HBD | 3 |
| HeavyAtoms | 45 | AlogP | 0.57 |
| TPSA | 151.24 | RotatableBonds | 9 |
| FractionCSP3 | 0.76 | Rings | 7 |
| AromaticRings | 1 | AliphaticRings | 6 |