| Primary information |
|---|
| ID | 20463 |
| Pubchem ID | 5991 |
| Name | 17a-Ethynylestradiol |
| Description | Ethinyl estradiol. A semisynthetic alkylated estradiol with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally; and is often used as the estrogenic component in oral contraceptives. |
| Synonym | 17-Ethinyl-3;17-estradiol;17-Ethinyl-3;17-oestradiol;17-Ethinylestradiol;17alpha-Ethinyl estradiol;Ethinyl estradiol;Ethinylestradiol;Ethinyloestradiol;Ethynyl estradiol;Estinyl;17a-Ethinyl estradiol; |
| Molecular Weight | 296.4034 |
| Formula | C20H24O2 |
| IUPAC | (1S;10R;11S;14R;15S)-14-ethynyl-15-methyltetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadeca-2(7);3;5-triene-5;14-diol |
| SMILE | [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 |
| PDB ID | NA |
| KEGG | C07534 |
| HMDB ID | HMDB0001926 |
| Melting Point (Degree C) | 183 |
| Water Solubility | 0.011 mg/mL at 27 °C |
| Drugbank ID | NA |
| Receptor | NA |
| Reference | HMDB
|