rel-(10xi,13xi,17xi,25xi)-20-hydroxy-6-oxo-8xi-cevan-3-yl acetate
Chemical Structure Depiction of
rel-(10xi,13xi,17xi,25xi)-20-hydroxy-6-oxo-8xi-cevan-3-yl acetate
rel-(10xi,13xi,17xi,25xi)-20-hydroxy-6-oxo-8xi-cevan-3-yl acetate
Compound characteristics
| Compound ID: | N070-0006 |
| Compound Name: | rel-(10xi,13xi,17xi,25xi)-20-hydroxy-6-oxo-8xi-cevan-3-yl acetate |
| Molecular Weight: | 471.68 |
| Molecular Formula: | C29 H45 N O4 |
| Smiles: | [H]C12CC[C@@]3([H])C4([H])CC([C@@]5([H])CC(CCC5(C)[C@@]4([H])C[C@@]3([H])C1([H])CN1CC(C)CC[C@@]1([H])[C@@]2(C)O)OC(C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3499 |
| logD: | 3.9129 |
| logSw: | -4.4896 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.236 |
| InChI Key: | LCJGVSFMDQXVDC-MRZQTBCHSA-N |