TPCN02651
![[object Object]](../../static/browser_molecular_png/TPCN02651.png)
| Name | (rel 5S,6R,8R,9R,10S,13R,16S)-6-acetoxy9,13-epoxy-16-methoxy-labdan-15,16-olide |
| Molecular Formula | C23H36O6 |
| Molecular Weight | 408.54 |
| CAS Registry Number | 329976-57-0 |
| SMILES | COC1OC(=O)CC12CCC1(O2)C(C)CC(OC(C)=O)C2C(C)(C)CCCC21C |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Verbenaceae | Vitex agnus-castus | Fruits | 0.000451% | Chem Pharm Bull (Tokyo) 59, 392-396 (2011). | 10.1248/cpb.59.392 |
Properties
| HBA | 6 | HBD | 0 |
| HeavyAtoms | 29 | AlogP | 4.00 |
| TPSA | 71.06 | RotatableBonds | 2 |
| FractionCSP3 | 0.91 | Rings | 4 |
| AromaticRings | 0 | AliphaticRings | 4 |