1-({(E)-[(4aRS,6aSR,6bSR,10aRS)-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]amino}oxy)ethan-1-one
Chemical Structure Depiction of
1-({(E)-[(4aRS,6aSR,6bSR,10aRS)-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]amino}oxy)ethan-1-one
1-({(E)-[(4aRS,6aSR,6bSR,10aRS)-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]amino}oxy)ethan-1-one
Compound characteristics
| Compound ID: | 8007-0613 |
| Compound Name: | 1-({(E)-[(4aRS,6aSR,6bSR,10aRS)-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]amino}oxy)ethan-1-one |
| Molecular Weight: | 425.61 |
| Molecular Formula: | C27 H39 N O3 |
| Smiles: | [H][C@@]12CCCC[C@@]2(C(C)=O)[C@@]2(C)CCC3C(CCC4=CC(/CC[C@]34C)=N/OC(C)=O)C2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1104 |
| logD: | 5.1104 |
| logSw: | -5.4288 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.737 |
| InChI Key: | LQJAXDXIQDWPOB-LEAODGQRSA-N |