rel-(10xi,13xi,14xi,17xi)-14-hydroxy-3,16-bis{[(trimethylazaniumyl)acetyl]oxy}card-20(22)-enolide--bromide (1/2)
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi)-14-hydroxy-3,16-bis{[(trimethylazaniumyl)acetyl]oxy}card-20(22)-enolide--bromide (1/2)
rel-(10xi,13xi,14xi,17xi)-14-hydroxy-3,16-bis{[(trimethylazaniumyl)acetyl]oxy}card-20(22)-enolide--bromide (1/2)
Compound characteristics
| Compound ID: | N008-0012 |
| Compound Name: | rel-(10xi,13xi,14xi,17xi)-14-hydroxy-3,16-bis{[(trimethylazaniumyl)acetyl]oxy}card-20(22)-enolide--bromide (1/2) |
| Molecular Weight: | 750.61 |
| Molecular Formula: | C33 H54 N2 O7 |
| Salt: | 2Br- |
| Smiles: | [H][C@@]12CCC3(C)C(C(CC3([C@]2([H])CCC2CC(CCC12C)OC(C[N+](C)(C)C)=O)O)OC(C[N+](C)(C)C)=O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1974 |
| logD: | 1.1974 |
| logSw: | -3.3023 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.786 |
| InChI Key: | MBTJGMMOEIFQDX-UWKCZDNISA-N |