(17α)-17-Hydroxyestra-1,3,5(10)-trien-3-yl (²H₅)benzoate

More details:

• Systematic name

  (17alpha)-17-Hydroxyestra-1,3,5(10)-trien-3-yl (~2~H_5_)benzoate

• SMILES

  C[C@@]12CC[C@@H]3C4=CC=C(C=C4CC[C@H]3[C@@H]2CC[C@H]1O)OC(=O)C5=C([2H])C([2H])=C([2H])C([2H])=C5[2H] [2H]c1c(c(c(c(c1[2H])[2H])C(=O)Oc2ccc3c(c2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CC[C@H]5O)C)[2H])[2H]

• Std. InChi

  InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23-,25+/m1/s1/i2D,3D,4D,5D,6D

• Std. InChIKey

  UYIFTLBWAOGQBI-ZZQVDJCCSA-N

• Cite this record

  CSID:58783229, http://www.chemspider.com/Chemical-Structure.58783229.html (accessed 12:15, May 17, 2024)