(2RS)-11a-ethyl-2-ethynyl-1-hydroxy-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-7H-cyclopenta[a]phenanthren-7-one
Chemical Structure Depiction of
(2RS)-11a-ethyl-2-ethynyl-1-hydroxy-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-7H-cyclopenta[a]phenanthren-7-one
(2RS)-11a-ethyl-2-ethynyl-1-hydroxy-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-7H-cyclopenta[a]phenanthren-7-one
Compound characteristics
| Compound ID: | N037-0041 |
| Compound Name: | (2RS)-11a-ethyl-2-ethynyl-1-hydroxy-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-7H-cyclopenta[a]phenanthren-7-one |
| Molecular Weight: | 312.45 |
| Molecular Formula: | C21 H28 O2 |
| Smiles: | CCC12CCC3C(CCC4=CC(CCC34)=O)C1C[C@@H](C#C)C2O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.321 |
| logD: | 3.321 |
| logSw: | -3.8219 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.4171 |
| InChI Key: | KDLSFLJCQFFJIH-WWRIRWJESA-N |