TPCN00990
![[object Object]](../../static/browser_molecular_png/TPCN00990.png)
| Name | ??-elemanolide |
| Molecular Formula | C21H26O9 |
| Molecular Weight | 422.43 |
| CAS Registry Number | 82680-04-4 |
| SMILES | C=C1C(=O)OC2C(OC(C)=O)C1C(OC(=O)C(C)(C)O)C(C(=C)C=O)C2(C)C1CO1 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Zinnia grandiflora | Aerial parts | 0.004699% | J Nat Prod 69, 1820-1822.(2006) | 10.1021/np0603626 |
Properties
| HBA | 9 | HBD | 1 |
| HeavyAtoms | 30 | AlogP | 0.49 |
| TPSA | 128.73 | RotatableBonds | 6 |
| FractionCSP3 | 0.62 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |