rel-(8xi,9xi,14xi,16E)-3-hydroxy-16-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]androstan-17-one
Chemical Structure Depiction of
rel-(8xi,9xi,14xi,16E)-3-hydroxy-16-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]androstan-17-one
rel-(8xi,9xi,14xi,16E)-3-hydroxy-16-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]androstan-17-one
Compound characteristics
| Compound ID: | 8019-9916 |
| Compound Name: | rel-(8xi,9xi,14xi,16E)-3-hydroxy-16-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]androstan-17-one |
| Molecular Weight: | 452.59 |
| Molecular Formula: | C28 H36 O5 |
| Smiles: | [H][C@]12CCC3C4C/C(=C\c5cc(c6c(c5)OCO6)OC)C([C@@]4(C)CCC3[C@@]2(C)CCC(C1)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.488 |
| logD: | 5.488 |
| logSw: | -5.5387 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.586 |
| InChI Key: | OEXWBCUJBIXUNV-VNNAQMBYSA-N |