2-Ethynyl-alpha-Nor-5-alpha,17-alpha-Pregn-20-Yne-2-beta,17-Diol
[CAS# 1045-29-0]

Identification

• Name: 2-Ethynyl-alpha-Nor-5-alpha,17-alpha-Pregn-20-Yne-2-beta,17-Diol
• Synonyms: A-Norpregn-20-Yne-2,17-Diol, 2-Ethynyl-, (2-Beta,5-Alpha,17-Alpha)- (9Ci); Af 45 (Pharmaceutical); Af-45
• Molecular Formula: C₂₂H₃₀O₂
• Molecular Weight: 326.48
• CAS Registry Number: 1045-29-0
• SMILES: [C@@H]14[C@](CC[C@@H]2[C@@]3([C@@H](CC[C@@H]12)C[C@](C3)(O)C#C)C)([C@](CC4)(O)C#C)C
• InChI: 1S/C22H30O2/c1-5-21(23)13-15-7-8-16-17(19(15,3)14-21)9-11-20(4)18(16)10-12-22(20,24)6-2/h1-2,15-18,23-24H,7-14H2,3-4H3/t15-,16+,17-,18-,19-,20-,21+,22-/m0/s1
• InChIKey: HUUUMTTWAPMBMU-ZBJWQKIUSA-N