5α-pregnane-3,20β-diol disulfate

More details:

• Systematic name

  (5alpha,20R)-Pregnane-3,20-diyl bis(hydrogen sulfate)

• SMILES

  C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(CC(C1)OS(O)(=O)=O)[H])[H])(CC[C@]4([H])[C@H](OS(O)(=O)=O)C)[H])C)[H])C C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(C4)OS(=O)(=O)O)C)C)OS(=O)(=O)O

• Std. InChi

  InChI=1S/C21H36O8S2/c1-13(28-30(22,23)24)17-6-7-18-16-5-4-14-12-15(29-31(25,26)27)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19H,4-12H2,1-3H3,(H,22,23,24)(H,25,26,27)/t13-,14+,15?,16+,17-,18+,19+,20+,21-/m1/s1

• Std. InChIKey

  LSQGWMYMIHQKSA-PKGCTGQPSA-N

• Cite this record

  CSID:58163634, http://www.chemspider.com/Chemical-Structure.58163634.html (accessed 15:26, Apr 29, 2024)