ethyl (2E)-2-[(4aRS,6aSR,6bSR)-6b-acetyl-4a,6a-dimethyl-3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11,11a,11b,12,13-octadecahydro-2H-indeno[2,1-a]phenanthren-2-ylidene]hydrazine-1-carboxylate
Chemical Structure Depiction of
ethyl (2E)-2-[(4aRS,6aSR,6bSR)-6b-acetyl-4a,6a-dimethyl-3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11,11a,11b,12,13-octadecahydro-2H-indeno[2,1-a]phenanthren-2-ylidene]hydrazine-1-carboxylate
ethyl (2E)-2-[(4aRS,6aSR,6bSR)-6b-acetyl-4a,6a-dimethyl-3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11,11a,11b,12,13-octadecahydro-2H-indeno[2,1-a]phenanthren-2-ylidene]hydrazine-1-carboxylate
Compound characteristics
| Compound ID: | 8002-6962 |
| Compound Name: | ethyl (2E)-2-[(4aRS,6aSR,6bSR)-6b-acetyl-4a,6a-dimethyl-3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11,11a,11b,12,13-octadecahydro-2H-indeno[2,1-a]phenanthren-2-ylidene]hydrazine-1-carboxylate |
| Molecular Weight: | 454.65 |
| Molecular Formula: | C28 H42 N2 O3 |
| Smiles: | CCOC(N/N=C1\CC[C@]2(C)C3CC[C@@]4(C)C(CC5CCCC[C@@]45C(C)=O)C3CCC2=C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7954 |
| logD: | 5.7456 |
| logSw: | -5.6034 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.011 |
| InChI Key: | ZGBFIPQSPKDRKC-WJIMUTHXSA-N |