(8xi,9xi,10xi,13xi,14xi)-17,21-dihydroxypregn-4-ene-3,11,20-trione
Chemical Structure Depiction of
(8xi,9xi,10xi,13xi,14xi)-17,21-dihydroxypregn-4-ene-3,11,20-trione
(8xi,9xi,10xi,13xi,14xi)-17,21-dihydroxypregn-4-ene-3,11,20-trione
Compound characteristics
| Compound ID: | N050-0017 |
| Compound Name: | (8xi,9xi,10xi,13xi,14xi)-17,21-dihydroxypregn-4-ene-3,11,20-trione |
| Molecular Weight: | 360.45 |
| Molecular Formula: | C21 H28 O5 |
| Smiles: | CC12CCC(C=C2CCC2C3CC[C@](C(CO)=O)(C3(C)CC(C12)=O)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5247 |
| logD: | 1.5247 |
| logSw: | -3.059 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.517 |
| InChI Key: | MFYSYFVPBJMHGN-NUBBXXJJSA-N |