TPCN02722
![[object Object]](../../static/browser_molecular_png/TPCN02722.png)
| Name | Acetoxyjatropholone |
| Molecular Formula | C22H26O4 |
| Molecular Weight | 354.45 |
| CAS Registry Number | 1260169-96-7 |
| SMILES | C=C1CCC2C(c3c(C)c(O)c4c(c31)C(=O)C(C)C4)C2(C)COC(C)=O |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Euphorbiaceae | Jatropha curcas | Barks | 0.000340% | Org Lett 13, 316-319 (2011). | 10.1021/ol102802u |
Properties
| HBA | 4 | HBD | 1 |
| HeavyAtoms | 26 | AlogP | 4.17 |
| TPSA | 63.60 | RotatableBonds | 2 |
| FractionCSP3 | 0.55 | Rings | 4 |
| AromaticRings | 1 | AliphaticRings | 3 |