rel-(9aR,11aR)-9a,11a-dimethyl-1-(6-oxoheptan-2-yl)-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl acetate
Chemical Structure Depiction of
rel-(9aR,11aR)-9a,11a-dimethyl-1-(6-oxoheptan-2-yl)-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl acetate
rel-(9aR,11aR)-9a,11a-dimethyl-1-(6-oxoheptan-2-yl)-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl acetate
Compound characteristics
| Compound ID: | 8016-3298 |
| Compound Name: | rel-(9aR,11aR)-9a,11a-dimethyl-1-(6-oxoheptan-2-yl)-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl acetate |
| Molecular Weight: | 428.66 |
| Molecular Formula: | C28 H44 O3 |
| Smiles: | CC(CCCC(C)=O)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5522 |
| logD: | 5.5522 |
| logSw: | -5.5268 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.158 |
| InChI Key: | XRPYRCCVSZYAQT-CDVSKNRKSA-N |