TPCN02964
![[object Object]](../../static/browser_molecular_png/TPCN02964.png)
| Name | Triptobenzene S |
| Molecular Formula | C20H26O3 |
| Molecular Weight | 314.43 |
| CAS Registry Number | 1428933-49-6 |
| SMILES | COc1c(C(C)C)cc(O)c2c1CCC1=C(C)C(=O)CCC12C |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Celastraceae | Tripterygium regelii | Roots | 0.000134% | Nat Prod Res 32, 2418-2423 (2018). | 10.1080/14786419.2017.1416379 |
Properties
| HBA | 3 | HBD | 1 |
| HeavyAtoms | 23 | AlogP | 4.41 |
| TPSA | 46.53 | RotatableBonds | 2 |
| FractionCSP3 | 0.55 | Rings | 3 |
| AromaticRings | 1 | AliphaticRings | 2 |