TPCN02445
![[object Object]](../../static/browser_molecular_png/TPCN02445.png)
| Name | (2R,3R,3aS,4R,6S,7S,8S,10E,12S,13R,13aR)-2,3,7,8,13-Pentakis(acetyloxy)-4-(benzoyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-13a-hydroxy-2,9,9,12-tetramethyl-5-methylene-1H-cyclopentacyclododecen-6-yl 2-methylpropanoate |
| Molecular Formula | C41H54O15 |
| Molecular Weight | 786.87 |
| CAS Registry Number | 1435805-56-3 |
| SMILES | C=C1C(OC(=O)C(C)C)C(OC(C)=O)C(OC(C)=O)C(C)(C)C=CC(C)C(OC(C)=O)C2(O)CC(C)(OC(C)=O)C(OC(C)=O)C2C1OC(=O)c1ccccc1 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Euphorbiaceae | Euphorbia sororia | Fruits | 0.001251% | Fitoterapia 92, 244-251 (2014). | 10.1016/j.fitote.2013.11.008 |
Properties
| HBA | 15 | HBD | 1 |
| HeavyAtoms | 56 | AlogP | 4.37 |
| TPSA | 204.33 | RotatableBonds | 9 |
| FractionCSP3 | 0.59 | Rings | 3 |
| AromaticRings | 1 | AliphaticRings | 2 |