rel-(8xi,9xi,14xi)-stigmast-5-en-3-yl 3,4,4-trichlorobut-3-enoate
Chemical Structure Depiction of
rel-(8xi,9xi,14xi)-stigmast-5-en-3-yl 3,4,4-trichlorobut-3-enoate
rel-(8xi,9xi,14xi)-stigmast-5-en-3-yl 3,4,4-trichlorobut-3-enoate
Compound characteristics
| Compound ID: | 8015-7725 |
| Compound Name: | rel-(8xi,9xi,14xi)-stigmast-5-en-3-yl 3,4,4-trichlorobut-3-enoate |
| Molecular Weight: | 586.13 |
| Molecular Formula: | C33 H51 Cl3 O2 |
| Smiles: | CC[C@@H](CC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(CC(=C([Cl])[Cl])[Cl])=O)C(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 10.3204 |
| logD: | 10.3204 |
| logSw: | -6.5727 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 20.1266 |
| InChI Key: | IODGZMMEGGOIKJ-CYGWUYDXSA-N |