methyl rel-(9xi)-16-oxobeyeran-18-oate
Chemical Structure Depiction of
methyl rel-(9xi)-16-oxobeyeran-18-oate
methyl rel-(9xi)-16-oxobeyeran-18-oate
Compound characteristics
| Compound ID: | N062-0007 |
| Compound Name: | methyl rel-(9xi)-16-oxobeyeran-18-oate |
| Molecular Weight: | 332.48 |
| Molecular Formula: | C21 H32 O3 |
| Smiles: | [H][C@]12CC[C@]34CC([C@@](C)(CCC4[C@]1(C)CCC[C@@]2(C)C(=O)OC)C3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8966 |
| logD: | 3.8966 |
| logSw: | -4.3183 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.98 |
| InChI Key: | WWTGKEKQZGKXDC-WRFAPTJVSA-N |