[(8R,9S,13S,14S,17R)-17-Ethynyl-3-Hydroxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-Yl] Hydrogen Sulfate
[CAS# 75803-36-0]

Identification

• Name: [(8R,9S,13S,14S,17R)-17-Ethynyl-3-Hydroxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-Yl] Hydrogen Sulfate
• Synonyms: Ethynyl Estradiol 17-Sulfate; 19-Norpregna-1,3,5(10)-Trien-20-Yne-3,17-Diol, 17-(Hydrogen Sulfate), (17Alpha)-; Ees-17
• Molecular Formula: C₂₀H₂₄O₅S
• Molecular Weight: 376.47
• CAS Registry Number: 75803-36-0
• SMILES: [C@@H]23C1=CC=C(C=C1CC[C@H]2[C@H]4[C@](CC3)([C@@](CC4)(C#C)O[S](=O)(O)=O)C)O
• InChI: 1S/C20H24O5S/c1-3-20(25-26(22,23)24)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21H,4,6,8-11H2,2H3,(H,22,23,24)/t16-,17-,18+,19+,20+/m1/s1
• InChIKey: JHKCCDZKVDAGJH-SLHNCBLASA-N