rel-(9xi)-16-(acetyloxy)beyeran-18-oic acid
Chemical Structure Depiction of
rel-(9xi)-16-(acetyloxy)beyeran-18-oic acid
rel-(9xi)-16-(acetyloxy)beyeran-18-oic acid
Compound characteristics
| Compound ID: | N062-0012 |
| Compound Name: | rel-(9xi)-16-(acetyloxy)beyeran-18-oic acid |
| Molecular Weight: | 362.51 |
| Molecular Formula: | C22 H34 O4 |
| Smiles: | [H][C@]12CC[C@]34C[C@H]([C@@](C)(CCC4[C@]1(C)CCC[C@@]2(C)C(O)=O)C3)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4848 |
| logD: | 1.1918 |
| logSw: | -3.9412 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.174 |
| InChI Key: | CSADACRWWVVNQF-AOXDHZETSA-N |