4-Hydroxyethynylestradiol
[CAS# 50394-90-6]

Identification

• Name: 4-Hydroxyethynylestradiol
• Synonyms: 19-Norpregna-1,3,5(10)-Trien-20-Yne-3,4,17-Triol, (17Alpha)-; 19-Norpregna-1,3,5(10)-Trien-20-Yne-3,4,17Alpha-Triol; 4-Hydroxyethynylestradiol
• Molecular Formula: C₂₀H₂₄O₃
• Molecular Weight: 312.41
• CAS Registry Number: 50394-90-6
• SMILES: [C@H]34[C@H]1[C@@H](C2=C(CC1)C(=C(O)C=C2)O)CC[C@@]3(C(O)(CC4)C#C)C
• InChI: 1S/C20H24O3/c1-3-20(23)11-9-16-14-4-5-15-12(6-7-17(21)18(15)22)13(14)8-10-19(16,20)2/h1,6-7,13-14,16,21-23H,4-5,8-11H2,2H3/t13-,14-,16+,19+,20?/m1/s1
• InChIKey: SYFHJXSYRPNSOI-DFJNYNKPSA-N