rel-(10xi,13xi,14xi,17xi)-3-[(bromoacetyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi)-3-[(bromoacetyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
rel-(10xi,13xi,14xi,17xi)-3-[(bromoacetyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
Compound characteristics
| Compound ID: | 0449-0117 |
| Compound Name: | rel-(10xi,13xi,14xi,17xi)-3-[(bromoacetyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide |
| Molecular Weight: | 525.44 |
| Molecular Formula: | C25 H33 Br O7 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(CC(CCC12C=O)OC(C[Br])=O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1303 |
| logD: | 1.1303 |
| logSw: | -3.132 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.273 |
| InChI Key: | HQEHABLFHCPQHP-ZIWVYAGWSA-N |