TPCN01861
![[object Object]](../../static/browser_molecular_png/TPCN01861.png)
| Name | 9??-Acetoxy-eupatolide |
| Molecular Formula | C17H22O6 |
| Molecular Weight | 322.36 |
| CAS Registry Number | 1417896-52-6 |
| SMILES | C=C1C(=O)OC2C=C(C)CCC3OC3(C)C(O)C(OC(C)=O)C12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Inula hupehensis | Aerial parts | 0.000076% | Planta Med 78(10): 1002-1009.(2012) | 10.1055/s-0031-1298621 |
Properties
| HBA | 6 | HBD | 1 |
| HeavyAtoms | 23 | AlogP | 1.27 |
| TPSA | 85.36 | RotatableBonds | 1 |
| FractionCSP3 | 0.65 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |