rel-(9xi,14xi,17xi)-3-hydroxy-8xi-20,24-epoxychol-5-en-24-one
Chemical Structure Depiction of
rel-(9xi,14xi,17xi)-3-hydroxy-8xi-20,24-epoxychol-5-en-24-one
rel-(9xi,14xi,17xi)-3-hydroxy-8xi-20,24-epoxychol-5-en-24-one
Compound characteristics
| Compound ID: | 8015-3327 |
| Compound Name: | rel-(9xi,14xi,17xi)-3-hydroxy-8xi-20,24-epoxychol-5-en-24-one |
| Molecular Weight: | 372.55 |
| Molecular Formula: | C24 H36 O3 |
| Smiles: | C[C@]12CCC3C(CC=C4C[C@H](CC[C@]34C)O)C1CCC2[C@]1(C)CCC(=O)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2465 |
| logD: | 4.2465 |
| logSw: | -4.8911 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.254 |
| InChI Key: | KYUZKRJIOGSDGT-APCFWUKFSA-N |