N-[rel-(3E,9xi,13xi,17xi,18xi)-5xi-19,28-epoxyoleanan-3-ylidene]hydroxylamine
Chemical Structure Depiction of
N-[rel-(3E,9xi,13xi,17xi,18xi)-5xi-19,28-epoxyoleanan-3-ylidene]hydroxylamine
N-[rel-(3E,9xi,13xi,17xi,18xi)-5xi-19,28-epoxyoleanan-3-ylidene]hydroxylamine
Compound characteristics
| Compound ID: | N069-0072 |
| Compound Name: | N-[rel-(3E,9xi,13xi,17xi,18xi)-5xi-19,28-epoxyoleanan-3-ylidene]hydroxylamine |
| Molecular Weight: | 455.73 |
| Molecular Formula: | C30 H49 N O2 |
| Smiles: | C[C@]1(C)CCC23CC[C@]4(C)C(CCC5[C@@]6(C)CC\C([C@@](C)(C)C6CC[C@@]45C)=N/O)C3C1OC2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0322 |
| logD: | 6.0321 |
| logSw: | -5.8856 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.979 |
| InChI Key: | QXSNOJKVEVATLM-UTBUAYKNSA-N |