Statements (16)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
|
| gptkbp:alsoKnownAs |
gptkb:3β-EE
gptkb:3β-Ethynylestra-1,3,5(10)-trien-17β-ol gptkb:3β-Ethynylestradiol |
| gptkbp:CASNumber |
2623-00-7
|
| gptkbp:class |
synthetic estrogen
|
| gptkbp:hasMolecularFormula |
C20H24O
|
| gptkbp:hasSMILES |
CC#C[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=CC=C34)O)C
|
| gptkbp:hasUNII |
6Q1K1VJ1KE
|
| https://www.w3.org/2000/01/rdf-schema#label |
3EE
|
| gptkbp:IUPACName |
gptkb:(8R,9S,13S,14S,17S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol
|
| gptkbp:PubChem_CID |
gptkb:CHEMBL2104347
160519 |
| gptkbp:relatedTo |
ethinylestradiol
|
| gptkbp:bfsParent |
gptkb:Magic_1278
|
| gptkbp:bfsLayer |
7
|