rel-(8xi,10xi,13xi,14xi)-17-hydroxy-16-methyl-3,20-dioxopregn-9(11)-en-21-yl acetate
Chemical Structure Depiction of
rel-(8xi,10xi,13xi,14xi)-17-hydroxy-16-methyl-3,20-dioxopregn-9(11)-en-21-yl acetate
rel-(8xi,10xi,13xi,14xi)-17-hydroxy-16-methyl-3,20-dioxopregn-9(11)-en-21-yl acetate
Compound characteristics
| Compound ID: | N017-0015 |
| Compound Name: | rel-(8xi,10xi,13xi,14xi)-17-hydroxy-16-methyl-3,20-dioxopregn-9(11)-en-21-yl acetate |
| Molecular Weight: | 402.53 |
| Molecular Formula: | C24 H34 O5 |
| Smiles: | [H][C@]12CCC3C4C[C@@H](C)[C@](C(COC(C)=O)=O)(C4(C)CC=C3C2(C)CCC(C1)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9463 |
| logD: | 3.9463 |
| logSw: | -4.4622 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.278 |
| InChI Key: | HSXGGWBAANDFDP-UHFFFAOYSA-N |