| Name(s) |
17alpha-ethynylestradiol |
| Scientific name(s) |
ethinyl estradiol; ethynylestradiol; 57-63-6; ethynyl estradiol; ethinylestradiol; ethinyloestradiol; 17-ethinylestradiol |
| Formula |
C20H24O2 |
| Molecular mass |
296.4 |
| IUPAC name |
(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol |
| INCHI |
InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1 |
| 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 |
| CAS ID |
57-63-6 |
| PubChem ID |
5991 |
| DrugBank ID |
DB00977 |
| CHEBI ID |
4903 |
