Ethynylestradiol-3-Sulfate
[CAS# 24560-70-1]

Identification

• Name: Ethynylestradiol-3-Sulfate
• Synonyms: 19-Norpregna-1,3,5(10)-Trien-20-Yne-3,17-Diol, 3-(Hydrogen Sulfate), (17Alpha)-; Ethinyl Estradiol Sulfate; Ethinyl Estradiol Sulfonate
• Molecular Formula: C₂₀H₂₄O₅S
• Molecular Weight: 376.47
• CAS Registry Number: 24560-70-1
• SMILES: [C@@H]23C1=CC=C(C=C1CC[C@H]2[C@H]4[C@](CC3)([C@](CC4)(O)C#C)C)O[S](=O)(O)=O
• InChI: 1S/C20H24O5S/c1-3-20(21)11-9-18-17-6-4-13-12-14(25-26(22,23)24)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21H,4,6,8-11H2,2H3,(H,22,23,24)/t16-,17-,18+,19+,20+/m1/s1
• InChIKey: WLGIWVFFGMPRLM-SLHNCBLASA-N