rel-(8xi,10xi,13xi,14xi)-17-hydroxy-16-methyl-20-oxopregn-9(11)-en-3-yl 3-iodobenzoate
Chemical Structure Depiction of
rel-(8xi,10xi,13xi,14xi)-17-hydroxy-16-methyl-20-oxopregn-9(11)-en-3-yl 3-iodobenzoate
rel-(8xi,10xi,13xi,14xi)-17-hydroxy-16-methyl-20-oxopregn-9(11)-en-3-yl 3-iodobenzoate
Compound characteristics
| Compound ID: | N017-0013 |
| Compound Name: | rel-(8xi,10xi,13xi,14xi)-17-hydroxy-16-methyl-20-oxopregn-9(11)-en-3-yl 3-iodobenzoate |
| Molecular Weight: | 576.52 |
| Molecular Formula: | C29 H37 I O4 |
| Smiles: | [H][C@]12CCC3C4C[C@@H](C)[C@](C(C)=O)(C4(C)CC=C3C2(C)CC[C@H](C1)OC(c1cccc(c1)I)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5106 |
| logD: | 6.5106 |
| logSw: | -5.7952 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.17 |
| InChI Key: | RHCMOQFYLNZMFY-UHFFFAOYSA-N |