TPCN02624
![[object Object]](../../static/browser_molecular_png/TPCN02624.png)
| Name | Triptobenzene H |
| Molecular Formula | C21H28O4 |
| Molecular Weight | 344.45 |
| CAS Registry Number | 146900-55-2 |
| SMILES | COc1c(C(C)C)cc(O)c2c1CCC1C(C)=C(C(=O)O)CCC21C |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Celastraceae | Tripterygium regelii | Roots | 0.000517% | Nat Prod Res 32, 2418-2423 (2018). | 10.1080/14786419.2017.1416379 |
Properties
| HBA | 4 | HBD | 2 |
| HeavyAtoms | 25 | AlogP | 4.54 |
| TPSA | 66.76 | RotatableBonds | 3 |
| FractionCSP3 | 0.57 | Rings | 3 |
| AromaticRings | 1 | AliphaticRings | 2 |