(16E)-16-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]androstane-3,17-diol
Chemical Structure Depiction of
(16E)-16-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]androstane-3,17-diol
(16E)-16-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]androstane-3,17-diol
Compound characteristics
| Compound ID: | 8019-9932 |
| Compound Name: | (16E)-16-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]androstane-3,17-diol |
| Molecular Weight: | 454.61 |
| Molecular Formula: | C28 H38 O5 |
| Smiles: | CC12CCC(CC1CCC1C2CCC2(C)C1C/C(=C\c1cc(c3c(c1)OCO3)OC)C2O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3208 |
| logD: | 5.3208 |
| logSw: | -5.5952 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.949 |
| InChI Key: | OENMPHULXSOBTB-UHFFFAOYSA-N |