(8S,9S,13S,14S,17S)-17-(2-Chloroethynyl)-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthrene-3,17-Diol
[CAS# 4567-67-3]

Identification

• Name: (8S,9S,13S,14S,17S)-17-(2-Chloroethynyl)-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthrene-3,17-Diol
• Synonyms: Nsc57429; 17Alpha-Chloroethynylestradiol; 21-Chloro-19-Nor-17Alpha-Pregna-1,3,5(10)-Trien-20-Yne-3,17-Diol
• Molecular Formula: C₂₀H₂₃ClO₂
• Molecular Weight: 330.85
• CAS Registry Number: 4567-67-3
• SMILES: [C@@]4(C#CCl)([C@]3(C)[C@H]([C@H]2[C@@H](C1=C(C=C(O)C=C1)CC2)CC3)CC4)O
• InChI: 1S/C20H23ClO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h3,5,12,16-18,22-23H,2,4,6-9H2,1H3/t16-,17-,18+,19+,20-/m1/s1
• InChIKey: RGENIWJSHAAOMP-SWBPCFCJSA-N