TPCN00938
![[object Object]](../../static/browser_molecular_png/TPCN00938.png)
| Name | Trilobolide 6-O-isobutyrate |
| Molecular Formula | C23H32O9 |
| Molecular Weight | 452.50 |
| CAS Registry Number | 156993-29-2 |
| SMILES | C=C1C(=O)OC2C1C(OC(=O)C(C)C)C1C(C)(O)CCC(OC(C)=O)C1(C)C2OC(C)=O |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Wedelia trilobata | Leaves | 0.008889% | J Org Chem 72(19): 7102-7105.(2007) | 10.1021/jo070771m |
Properties
| HBA | 9 | HBD | 1 |
| HeavyAtoms | 32 | AlogP | 1.70 |
| TPSA | 125.43 | RotatableBonds | 4 |
| FractionCSP3 | 0.74 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |