TPCN02261
![[object Object]](../../static/browser_molecular_png/TPCN02261.png)
| Name | Simplexin |
| Molecular Formula | C30H44O8 |
| Molecular Weight | 532.67 |
| CAS Registry Number | 1404-62-2 |
| SMILES | C=C(C)C12CC(C)C34OC(CCCCCCCCC)(OC1C3C1OC1(CO)C(O)C1(O)C(=O)C(C)=CC14)O2 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Thymelaeaceae | Pimelea elongata | Roots | 0.004200% | J Nat Prod 73, 1907-1913 (2010). | 10.1021/np1005746 |
Properties
| HBA | 8 | HBD | 3 |
| HeavyAtoms | 38 | AlogP | 3.32 |
| TPSA | 117.98 | RotatableBonds | 10 |
| FractionCSP3 | 0.83 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |