methyl rel-(9xi)-3-hydroxy-11-oxo-5xi-olean-12-en-30-oate
Chemical Structure Depiction of
methyl rel-(9xi)-3-hydroxy-11-oxo-5xi-olean-12-en-30-oate
methyl rel-(9xi)-3-hydroxy-11-oxo-5xi-olean-12-en-30-oate
Compound characteristics
| Compound ID: | N064-0035 |
| Compound Name: | methyl rel-(9xi)-3-hydroxy-11-oxo-5xi-olean-12-en-30-oate |
| Molecular Weight: | 484.72 |
| Molecular Formula: | C31 H48 O4 |
| Smiles: | [H][C@@]12C[C@](C)(CC[C@]2(C)CC[C@]2(C)C1=CC(C1[C@@]3(C)CCC([C@](C)(C)C3CC[C@]12C)O)=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7618 |
| logD: | 5.7618 |
| logSw: | -5.4691 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.151 |
| InChI Key: | RMIVRCBSQPCSCQ-RWTMRYCTSA-N |