TPCN03027
![[object Object]](../../static/browser_molecular_png/TPCN03027.png)
| Name | Caffarolide B |
| Molecular Formula | C38H58O6 |
| Molecular Weight | 610.88 |
| CAS Registry Number | 2231781-64-7 |
| SMILES | CCCCCC=CCC=CCCCCCCCC(=O)OCC1(O)CC23CCC4C5=CC(=O)OC5(O)CCC4(C)C2CCC1C3 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Coffea arabica | Seeds | 0.000100% | Food Chem 263, 251-257 (2018). | 10.1016/j.foodchem.2018.04.081 |
Properties
| HBA | 6 | HBD | 2 |
| HeavyAtoms | 44 | AlogP | 8.26 |
| TPSA | 93.06 | RotatableBonds | 16 |
| FractionCSP3 | 0.79 | Rings | 5 |
| AromaticRings | 0 | AliphaticRings | 5 |