rel-(9xi,14xi,16E)-3-hydroxy-16-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-8xi-androst-5-en-17-one
Chemical Structure Depiction of
rel-(9xi,14xi,16E)-3-hydroxy-16-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-8xi-androst-5-en-17-one
rel-(9xi,14xi,16E)-3-hydroxy-16-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-8xi-androst-5-en-17-one
Compound characteristics
| Compound ID: | 8019-9917 |
| Compound Name: | rel-(9xi,14xi,16E)-3-hydroxy-16-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-8xi-androst-5-en-17-one |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C28 H34 O5 |
| Smiles: | C[C@]12CCC3C(CC=C4CC(CC[C@]34C)O)C1C/C(=C\c1cc(c3c(c1)OCO3)OC)C2=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2233 |
| logD: | 5.2233 |
| logSw: | -5.2919 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.586 |
| InChI Key: | IVXZBYUDBRZPHL-RSJARBNESA-N |