(8ξ,9ξ,14ξ,17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl benzoate - pregn-4-ene-3,20-dione (1:1)

More details:

• Systematic name

  (8xi,9xi,14xi,17beta)-17-Hydroxyestra-1,3,5(10)-trien-3-yl benzoate - pregn-4-ene-3,20-dione (1:1)

• SMILES

  CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C.C[C@]12CCC3c4ccc(cc4CCC3C1CC[C@@H]2O)OC(=O)c5ccccc5

• Std. InChi

  InChI=1S/C25H28O3.C21H30O2/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;1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3;12,16-19H,4-11H2,1-3H3/t20?,21?,22?,23-,25-;16-,17+,18-,19-,20-,21+/m00/s1

• Std. InChIKey

  MVNXVUVQPCKKIA-IFFSMXJHSA-N

• Cite this record

  CSID:59814, http://www.chemspider.com/Chemical-Structure.59814.html (accessed 05:02, Apr 25, 2024)