TPCN02869
![[object Object]](../../static/browser_molecular_png/TPCN02869.png)
| Name | Triptobenzene D |
| Molecular Formula | C20H26O2 |
| Molecular Weight | 298.43 |
| CAS Registry Number | 80114-74-5 |
| SMILES | CC1=C(C(=O)O)CCC2(C)c3ccc(C(C)C)cc3CCC12 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Celastraceae | Tripterygium regelii | Roots | 0.000194% | Nat Prod Res 32, 2418-2423 (2018). | 10.1080/14786419.2017.1416379 |
Properties
| HBA | 2 | HBD | 1 |
| HeavyAtoms | 22 | AlogP | 4.83 |
| TPSA | 37.30 | RotatableBonds | 2 |
| FractionCSP3 | 0.55 | Rings | 3 |
| AromaticRings | 1 | AliphaticRings | 2 |