TPCN03045
![[object Object]](../../static/browser_molecular_png/TPCN03045.png)
| Name | Caffarolide F |
| Molecular Formula | C40H62O7 |
| Molecular Weight | 654.93 |
| CAS Registry Number | 2231781-68-1 |
| SMILES | CCCCCC=CCC=CCCCCCCCCC(=O)OCC1(O)CC23CCC4C5=CC(=O)OC5(O)CC(OC)C4(C)C2CCC1C3 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Coffea arabica | Seeds | 0.000090% | Food Chem 263, 251-257 (2018). | 10.1016/j.foodchem.2018.04.081 |
Properties
| HBA | 7 | HBD | 2 |
| HeavyAtoms | 47 | AlogP | 8.28 |
| TPSA | 102.29 | RotatableBonds | 18 |
| FractionCSP3 | 0.80 | Rings | 5 |
| AromaticRings | 0 | AliphaticRings | 5 |