General Characteristics
| NatID | 683 |
| Common Name | ent-8(14),15-pimaradiene-3β,18-diacetate |
| Molecular Formula | C24H36O4 |
| Chemical Class | Prenol lipids > Diterpenoids |
| Molecular Weight | 388.261 g/mol |
| Other names |
Representations
| Smiles | C=C[C@]1(C)C=C2CCC3[C@@](C)(CC[C@@H](OC(C)=O)[C@]3(C)COC(C)=O)[C@@H]2CC1 |
| Inchi | InChI=1S/C24H36O4/c1-7-22(4)12-10-19-18(14-22)8-9-20-23(19,5)13-11-21(28-17(3)26)24(20,6)15-27-16(2)25/h7,14,19-21H,1,8-13,15H2,2-6H3/t19-,20?,21-,22+,23+,24-/m1/s1 |
| Inchi Key | RSLSIZYDQKTFDW-SFDNWCNDSA-N |
| 3D Structure |
Calculated Properties
| clogP | 5.23 |
| TPSA | 52.60 |
| HBD | 0 |
| HBA | 4 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 0 |
| Heavy Atoms | 28 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9687 | Gochnatia glutinosa | No | Very High | García, E. E., Guerreiro, E., & Joseph-Nathan, P. (1985). Ent-pimaradiene diterpenes from gochnatia glutinosa. Phytochemistry, 24(12), 3059–3060. https://doi.org/10.1016/0031-9422(85)80059-5 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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