Chem
J-GLOBAL ID：201007022785419698   Nikkaji number：J2.793.221E

12α-Fluoro-11β,17β-dihydroxyandrost-4-en-3-one

12α-フルオロ-11β,17β-ジヒドロキシアンドロスタ-4-エン-3-オン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C19H27FO3
Molecular formula furigana： C19-H27-F-O3
Molecular weight： 322.420
InChI： InChI=1S/C19H27FO3/c1-18-8-7-11(21)9-10(18)3-4-12-13-5-6-14(22)19(13,2)17(20)16(23)15(12)18/h9,12-17,22-23H,3-8H2,1-2H3/t12-,13-,14-,15+,16+,17-,18-,19-/m0/s1
InChI key： JKRMUSMTFMBPFM-HPLVRFQDSA-N
SMILES： C[C@@]12[C@@H](O)CC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@]3(C)[C@H]1[C@@H](O)[C@@H]2F
Systematic name  (3)：
  • 12α-フルオロ-11β,17β-ジヒドロキシアンドロスタ-4-エン-3-オン
  • (1S,3aS,3bS,9aR,9bS,10R,11R,11aS)-11-フルオロ-1,10-ジヒドロキシ-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1S,3aS,3bS,9aR,9bS,10R,11R,11aS)-11-fluoro-1,10-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (2)：
  • 12α-Fluoro-11β,17β-dihydroxyandrosta-4-ene-3-one
  • 12α-Fluoro-11β,17β-dihydroxyandrost-4-en-3-one
KEGG COMPOUND： C15164
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