TPCN00913
![[object Object]](../../static/browser_molecular_png/TPCN00913.png)
| Name | 1?? acetoxy, 8??-hydroxyeudesman-4(15),7(11)-dien-8??,12-olide |
| Molecular Formula | C17H22O5 |
| Molecular Weight | 306.36 |
| CAS Registry Number | 97456-35-4 |
| SMILES | C=C1CCC(OC(C)=O)C2(C)CC3(O)OC(=O)C(C)=C3CC12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apiaceae | Smyrnium olusatrum | Fruits | 0.010667% | Phytochemistry 57(8): 1197-1200.(2001) | 10.1016/s0031-9422(01)00211-4 |
Properties
| HBA | 5 | HBD | 1 |
| HeavyAtoms | 22 | AlogP | 2.25 |
| TPSA | 72.83 | RotatableBonds | 1 |
| FractionCSP3 | 0.65 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |