TPCN02316
![[object Object]](../../static/browser_molecular_png/TPCN02316.png)
| Name | 3-deoxyacontine;Deoxyaconitine;3-deoxyaconitine |
| Molecular Formula | C34H47NO10 |
| Molecular Weight | 629.75 |
| CAS Registry Number | 3175-95-9 |
| SMILES | CCN1CC2(COC)CCC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Ranunculaceae | Aconitum nagarum | Roots | 0.002750% | Planta Med 2005; 71: 1073±1076 | 10.1055/s-2005-873135 |
| Ranunculaceae | Aconitum carmichaeli | Roots | 0.002722% | Molecules 17, 5187-5194 (2012). | 10.3390/molecules17055187 |
| Ranunculaceae | Aconitum carmichaeli | Roots | 0.000400% | Nat Prod Res 31, 228-232 (2017). | 10.1080/14786419.2016.1219863 |
Properties
| HBA | 11 | HBD | 2 |
| HeavyAtoms | 45 | AlogP | 1.68 |
| TPSA | 133.22 | RotatableBonds | 9 |
| FractionCSP3 | 0.76 | Rings | 7 |
| AromaticRings | 1 | AliphaticRings | 6 |