rel-(10xi,13xi,14xi,17xi)-5,14-dihydroxy-19-oxo-3-{[(trimethylazaniumyl)acetyl]oxy}card-20(22)-enolide--bromide (1/1)
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi)-5,14-dihydroxy-19-oxo-3-{[(trimethylazaniumyl)acetyl]oxy}card-20(22)-enolide--bromide (1/1)
rel-(10xi,13xi,14xi,17xi)-5,14-dihydroxy-19-oxo-3-{[(trimethylazaniumyl)acetyl]oxy}card-20(22)-enolide--bromide (1/1)
Compound characteristics
| Compound ID: | N008-0011 |
| Compound Name: | rel-(10xi,13xi,14xi,17xi)-5,14-dihydroxy-19-oxo-3-{[(trimethylazaniumyl)acetyl]oxy}card-20(22)-enolide--bromide (1/1) |
| Molecular Weight: | 584.55 |
| Molecular Formula: | C28 H42 N O7 |
| Salt: | Br- |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(CC(CCC12C=O)OC(C[N+](C)(C)C)=O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.2942 |
| logD: | 0.2942 |
| logSw: | -2.6149 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.863 |
| InChI Key: | KFPMAYKBBLAZFX-RGBGGRCBSA-N |