TPCN00932
![[object Object]](../../static/browser_molecular_png/TPCN00932.png)
| Name | Ereglomerulide |
| Molecular Formula | C22H28O7 |
| Molecular Weight | 404.46 |
| CAS Registry Number | 80398-75-0 |
| SMILES | C=C1C(=O)OC2CC(C)C=CC(=O)C(C)(OC(C)=O)CC(OC(=O)C(C)=CC)C12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Piptocoma rufescens | Leaves | 0.009574% | Tetrahedron 68(12): 2671-2678.(2012) | 10.1016/j.tet.2012.01.061 |
Properties
| HBA | 7 | HBD | 0 |
| HeavyAtoms | 29 | AlogP | 2.84 |
| TPSA | 95.97 | RotatableBonds | 3 |
| FractionCSP3 | 0.55 | Rings | 2 |
| AromaticRings | 0 | AliphaticRings | 2 |