Características Generales
| NatID | 584 |
| Nombre Común | methyl oleanate |
| Fórmula Molecular | C31H50O3 |
| Tipo Químico | Prenol lipids > Triterpenoids |
| Peso Molecular | 470.376 g/mol |
| Otros nombres |
Representaciones
| Smiles | COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |
| Inchi | InChI=1S/C31H50O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1 |
| Inchi Key | BTXWOKJOAGWCSN-JBYJGCOVSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 7.32 |
| TPSA | 46.53 |
| HBD | 1 |
| HBA | 3 |
| Enlaces Rotables | 1 |
| Anillos aromáticos | 0 |
| Átomos pesados | 34 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 3 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9788 | Mulguraea aspera | No | High |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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