TPCN03262
![[object Object]](../../static/browser_molecular_png/TPCN03262.png)
| Name | Aconicatisulfonines A |
| Molecular Formula | C22H31NO5S |
| Molecular Weight | 421.56 |
| CAS Registry Number | 2387714-21-6 |
| SMILES | CC12CCCC3(C=[N+](CCO)C1)C2CCC12C=C(S(=O)(=O)[O-])C(=O)C(CC1)CC23 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Ranunculaceae | Aconitum carmichaelii | Roots | 0.000007% | Org Lett 11, 5522-5524 (2009). | 10.1021/acs.orglett.9b02479 |
Properties
| HBA | 6 | HBD | 1 |
| HeavyAtoms | 29 | AlogP | 2.08 |
| TPSA | 97.51 | RotatableBonds | 3 |
| FractionCSP3 | 0.82 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |