N-{(3E,5α,6α)-3-[(2-Aminoethoxy)imino]-17-oxoandrostan-6-yl}formamide (2E)-2-butenedioate (1:1)

More details:

• Systematic name

  N-{(3E,5alpha,6alpha)-3-[(2-Aminoethoxy)imino]-17-oxoandrostan-6-yl}formamide (2E)-2-butenedioate (1:1)

• SMILES

  C[C@]12CC/C(=N\OCCN)/C[C@@H]1[C@H](C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)NC=O.C(=C/C(=O)O)\C(=O)O

• Std. InChi

  InChI=1S/C22H35N3O3.C4H4O4/c1-21-7-5-14(25-28-10-9-23)11-18(21)19(24-13-26)12-15-16-3-4-20(27)22(16,2)8-6-17(15)21;5-3(6)1-2-4(7)8/h13,15-19H,3-12,23H2,1-2H3,(H,24,26);1-2H,(H,5,6)(H,7,8)/b25-14+;2-1+/t15-,16-,17-,18+,19-,21+,22-;/m0./s1

• Std. InChIKey

  LGAIQXOUNHHQBZ-QQJJJAKQSA-N

• Cite this record

  CSID:25060177, http://www.chemspider.com/Chemical-Structure.25060177.html (accessed 16:41, May 4, 2024)