(2beta,5alpha,17alpha)-2-Ethynyl-A-Norpregn-20-Yne-2,17-Diol Bis(Hydrogen Butanedioate)
[CAS# 99814-12-7]

Identification

• Name: (2beta,5alpha,17alpha)-2-Ethynyl-A-Norpregn-20-Yne-2,17-Diol Bis(Hydrogen Butanedioate)
• Synonyms: A-Nor-5-Alpha,17-Alpha-Pregn-20-Yne-2-Beta,17-Diol, 2-Ethynyl-, Dihemisuccinate; A-Norpregn-20-Yne-2,17-Diol, 2-Ethynyl-, Bis(Hydrogen Butanedioate), (2-Beta,5-Alpha,17-Alpha); A-Norpregn-20-Yne-2,17-Diol, 2-Ethynyl-, Bis(Hydrogen Butanedioate), (2Beta,5Alp
• Molecular Formula: C₃₀H₃₈O₈
• Molecular Weight: 526.63
• CAS Registry Number: 99814-12-7
• SMILES: [C@@]4(C[C@@H]3CC[C@@H]1[C@H](CC[C@]2([C@H]1CC[C@@]2(OC(=O)CCC(O)=O)C#C)C)[C@]3(C4)C)(OC(CCC(=O)O)=O)C#C
• InChI: 1S/C30H38O8/c1-5-29(37-25(35)11-9-23(31)32)17-19-7-8-20-21(27(19,3)18-29)13-15-28(4)22(20)14-16-30(28,6-2)38-26(36)12-10-24(33)34/h1-2,19-22H,7-18H2,3-4H3,(H,31,32)(H,33,34)/t19-,20+,21-,22-,27-,28-,29+,30-/m0/s1
• InChIKey: KQASQXNTJIIRRU-OAHMOMQBSA-N