(16α,17β)-17-Hydroxy-3-(sulfooxy)estra-1(10),2,4-trien-16-yl β-D-glucopyranosiduronic acid

More details:

• Systematic name

  (16alpha,17beta)-17-Hydroxy-3-(sulfooxy)estra-1(10),2,4-trien-16-yl beta-D-glucopyranosiduronic acid

• SMILES

  C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)OS(=O)(=O)O

• Std. InChi

  InChI=1S/C24H32O12S/c1-24-7-6-13-12-5-3-11(36-37(31,32)33)8-10(12)2-4-14(13)15(24)9-16(21(24)28)34-23-19(27)17(25)18(26)20(35-23)22(29)30/h3,5,8,13-21,23,25-28H,2,4,6-7,9H2,1H3,(H,29,30)(H,31,32,33)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1

• Std. InChIKey

  ATNWFRGUDKUYOG-JRSYHJKYSA-N

• Cite this record

  CSID:24850133, http://www.chemspider.com/Chemical-Structure.24850133.html (accessed 23:38, Apr 24, 2024)