TPCN01627
![[object Object]](../../static/browser_molecular_png/TPCN01627.png)
| Name | Vernangulide B |
| Molecular Formula | C21H24O8 |
| Molecular Weight | 404.42 |
| CAS Registry Number | 119269-53-3 |
| SMILES | C=CC1(COC(C)=O)CC(OC(=O)C(=C)CO)C2C(=C)C(=O)OC2C1C(=C)C=O |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Distephanus angulifolius | Aerial parts | 0.000253% | Phytochemistry 70(5): 601-607.(2009) | 10.1016/j.phytochem.2009.02.005 |
Properties
| HBA | 8 | HBD | 1 |
| HeavyAtoms | 29 | AlogP | 1.06 |
| TPSA | 116.20 | RotatableBonds | 8 |
| FractionCSP3 | 0.43 | Rings | 2 |
| AromaticRings | 0 | AliphaticRings | 2 |