Sodium 17-oxo(6,6,7,7,9-²H₅)estra-1(10),2,4-trien-3-yl sulfate

More details:

• Systematic name

  Sodium 17-oxo(6,6,7,7,9-~2~H_5_)estra-1(10),2,4-trien-3-yl sulfate

• SMILES

  C[C@@]12CC[C@]3([2H])C4=CC=C(C=C4C([2H])([2H])C([2H])([2H])[C@H]3[C@@H]2CCC1=O)OS(=O)(=O)[O-].[Na+] [2H][C@]12CC[C@]3([C@H]([C@@H]1C(C(c4c2ccc(c4)OS(=O)(=O)[O-])([2H])[2H])([2H])[2H])CCC3=O)C.[Na+]

• 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+;/m1./s1/i2D2,4D2,14D;

• Std. InChIKey

  VUCAHVBMSFIGAI-DGSKSDKYSA-M

• Cite this record

  CSID:58785035, http://www.chemspider.com/Chemical-Structure.58785035.html (accessed 20:22, May 17, 2024)