1-[rel-(2E,4aR,6aS)-2-(methoxyimino)-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,11,11a,11b,12,13-octadecahydro-6bH-indeno[2,1-a]phenanthren-6b-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(2E,4aR,6aS)-2-(methoxyimino)-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,11,11a,11b,12,13-octadecahydro-6bH-indeno[2,1-a]phenanthren-6b-yl]ethan-1-one
1-[rel-(2E,4aR,6aS)-2-(methoxyimino)-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,11,11a,11b,12,13-octadecahydro-6bH-indeno[2,1-a]phenanthren-6b-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8012-4983 |
| Compound Name: | 1-[rel-(2E,4aR,6aS)-2-(methoxyimino)-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,11,11a,11b,12,13-octadecahydro-6bH-indeno[2,1-a]phenanthren-6b-yl]ethan-1-one |
| Molecular Weight: | 397.6 |
| Molecular Formula: | C26 H39 N O2 |
| Smiles: | CC(C12CCCCC1CC1C3CCC4=CC(/CC[C@]4(C)C3CC[C@@]12C)=N/OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8141 |
| logD: | 5.8141 |
| logSw: | -5.7049 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.606 |
| InChI Key: | CTVOPPAULYUILQ-LVJJPPCVSA-N |