methyl rel-(3E,9xi,13xi,17xi,18xi,19xi)-3-(hydroxyimino)-5xi-lup-20(29)-en-28-oate
Chemical Structure Depiction of
methyl rel-(3E,9xi,13xi,17xi,18xi,19xi)-3-(hydroxyimino)-5xi-lup-20(29)-en-28-oate
methyl rel-(3E,9xi,13xi,17xi,18xi,19xi)-3-(hydroxyimino)-5xi-lup-20(29)-en-28-oate
Compound characteristics
| Compound ID: | N069-0075 |
| Compound Name: | methyl rel-(3E,9xi,13xi,17xi,18xi,19xi)-3-(hydroxyimino)-5xi-lup-20(29)-en-28-oate |
| Molecular Weight: | 483.74 |
| Molecular Formula: | C31 H49 N O3 |
| Smiles: | CC(=C)C1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CC\C([C@](C)(C)C5CC[C@@]34C)=N/O)C12)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.8541 |
| logD: | 6.8541 |
| logSw: | -5.9501 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.859 |
| InChI Key: | LDSFBMPNLCLVMM-HXLOSQNYSA-N |