General Characteristics
| NatID | 582 |
| Common Name | maslinic acid diacetate |
| Molecular Formula | C34H52O6 |
| Chemical Class | Prenol lipids > Triterpenoids |
| Molecular Weight | 556.376 g/mol |
| Other names |
Representations
| Smiles | CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)O)CC[C@]23C)C(C)(C)[C@H]1OC(C)=O |
| Inchi | InChI=1S/C34H52O6/c1-20(35)39-24-19-31(7)25(30(5,6)27(24)40-21(2)36)12-13-33(9)26(31)11-10-22-23-18-29(3,4)14-16-34(23,28(37)38)17-15-32(22,33)8/h10,23-27H,11-19H2,1-9H3,(H,37,38)/t23-,24+,25-,26+,27-,31-,32+,33+,34-/m0/s1 |
| Inchi Key | BZDICYRSPZNHNV-LULZRBEKSA-N |
| 3D Structure |
Calculated Properties
| clogP | 7.35 |
| TPSA | 89.90 |
| HBD | 1 |
| HBA | 5 |
| Rotatable Bonds | 3 |
| Aromatic Rings | 0 |
| Heavy Atoms | 40 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 6 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9787 | Mulguraea aspera | No | High |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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