rel-(8xi,9xi,14xi,16E)-16-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]androstan-17-one
Chemical Structure Depiction of
rel-(8xi,9xi,14xi,16E)-16-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]androstan-17-one
rel-(8xi,9xi,14xi,16E)-16-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]androstan-17-one
Compound characteristics
| Compound ID: | 8019-9915 |
| Compound Name: | rel-(8xi,9xi,14xi,16E)-16-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]androstan-17-one |
| Molecular Weight: | 436.59 |
| Molecular Formula: | C28 H36 O4 |
| Smiles: | [H][C@@]12CCCC[C@]2(C)C2CC[C@@]3(C)C(C/C(=C\c4cc(c5c(c4)OCO5)OC)C3=O)C2CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5255 |
| logD: | 6.5255 |
| logSw: | -5.9614 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.863 |
| InChI Key: | FBJLPYMCBZFUML-WVJWKXIWSA-N |