(3β)-3-Hydroxy(20,21-¹³C₂)pregn-5-en-20-one

More details:

• Systematic name

  (3beta)-3-Hydroxy(20,21-~13~C_2_)pregn-5-en-20-one

• SMILES

  [13CH3][13C](=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2[13C](=O)[13CH3])CC=C4[C@@]3(CC[C@@H](C4)O)C

• Std. InChi

  InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1/i1+1,13+1

• Std. InChIKey

  ORNBQBCIOKFOEO-YYIVFZRDSA-N

• Cite this record

  CSID:58802049, http://www.chemspider.com/Chemical-Structure.58802049.html (accessed 05:23, Dec 2, 2023)