(2-beta,5-alpha,17-alpha)-2-Ethynyl-alpha-Norpregn-20-yne-2,17-diol 2-(hydrogen butanedioate)
[CAS# 96107-38-9]

Identification

• Name: (2-beta,5-alpha,17-alpha)-2-Ethynyl-alpha-Norpregn-20-yne-2,17-diol 2-(hydrogen butanedioate)
• Synonyms: Af 57
• Molecular Formula: C₂₆H₃₄O₅
• Molecular Weight: 426.55
• CAS Registry Number: 96107-38-9
• SMILES: [C@]14([C@](CCC1[C@@H]3CC[C@H]2C[C@](C[C@@]2([C@H]3CC4)C)(OC(=O)CCC(O)=O)C#C)(O)C#C)C
• InChI: 1S/C26H34O5/c1-5-25(31-22(29)10-9-21(27)28)15-17-7-8-18-19(23(17,3)16-25)11-13-24(4)20(18)12-14-26(24,30)6-2/h1-2,17-20,30H,7-16H2,3-4H3,(H,27,28)/t17-,18+,19-,20?,23-,24-,25+,26-/m0/s1
• InChIKey: QFWXVJBIZHFTCE-NHVJKOCDSA-N