Sodium (9β,14β)-17-oxoestra-1,3,5(10)-trien-3-yl sulfate

More details:

• Systematic name

  sodium;[(8R,9R,13S,14R)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate

• SMILES

  [Na+].C[C@]12CC[C@@H]3[C@@H](CCC4C=C(C=CC=43)OS([O-])(=O)=O)[C@H]1CCC2=O

• Std. InChi

  InChI=1S/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15+,16+,18-;/m0./s1

• Std. InChIKey

  VUCAHVBMSFIGAI-PYFSEZKLSA-M

• Cite this record

  CSID:107451450, http://www.chemspider.com/Chemical-Structure.107451450.html (accessed 20:26, May 17, 2024)