(11β,20R)-11,20-Dihydroxy-3-oxopregna-1,4-dien-21-oic acid hydrate (1:1)

More details:

• Systematic name

  (11beta,20R)-11,20-Dihydroxy-3-oxopregna-1,4-dien-21-oic acid hydrate (1:1)

• SMILES

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

• Std. InChi

  InChI=1S/C21H28O5.H2O/c1-20-8-7-12(22)9-11(20)3-4-13-14-5-6-15(18(24)19(25)26)21(14,2)10-16(23)17(13)20;/h7-9,13-18,23-24H,3-6,10H2,1-2H3,(H,25,26);1H2/t13-,14-,15+,16-,17+,18+,20-,21-;/m0./s1

• Std. InChIKey

  HYPXXSFDTKEYED-CKDXSVTASA-N

• Cite this record

  CSID:30656678, http://www.chemspider.com/Chemical-Structure.30656678.html (accessed 00:29, Jul 2, 2024)