rel-(8xi)-11-[(methylsulfanyl)methoxy]-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diyl diacetate
Chemical Structure Depiction of
rel-(8xi)-11-[(methylsulfanyl)methoxy]-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diyl diacetate
rel-(8xi)-11-[(methylsulfanyl)methoxy]-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diyl diacetate
Compound characteristics
| Compound ID: | 8018-7707 |
| Compound Name: | rel-(8xi)-11-[(methylsulfanyl)methoxy]-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diyl diacetate |
| Molecular Weight: | 456.6 |
| Molecular Formula: | C26 H32 O5 S |
| Smiles: | [H]C12CCc3cc(ccc3[C@@]1([H])[C@@H](C[C@@]1(C)[C@@]2([H])CC[C@]1(C#C)OC(C)=O)OCSC)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1734 |
| logD: | 4.1734 |
| logSw: | -4.8561 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 47.86 |
| InChI Key: | HJAGJZNFVJYWMX-FJQQUPFBSA-N |