rel-(9xi)-3-(acetyloxy)-11-oxo-5xi-olean-12-en-30-oic acid
Chemical Structure Depiction of
rel-(9xi)-3-(acetyloxy)-11-oxo-5xi-olean-12-en-30-oic acid
rel-(9xi)-3-(acetyloxy)-11-oxo-5xi-olean-12-en-30-oic acid
Compound characteristics
| Compound ID: | N026-0110 |
| Compound Name: | rel-(9xi)-3-(acetyloxy)-11-oxo-5xi-olean-12-en-30-oic acid |
| Molecular Weight: | 512.73 |
| Molecular Formula: | C32 H48 O5 |
| Smiles: | [H][C@@]12C[C@](C)(CC[C@]2(C)CC[C@]2(C)C1=CC(C1[C@@]3(C)CC[C@@H]([C@@](C)(C)C3CC[C@]12C)OC(C)=O)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6205 |
| logD: | 3.4229 |
| logSw: | -5.4596 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.977 |
| InChI Key: | FTQDJVZNPJRVPG-OFPSZRDUSA-N |