Chem
J-GLOBAL ID：201007038497426829   Nikkaji number：J2.793.249E

16α,17β-Dihydroxyandrost-4-en-3-one dipropionate

16α,17β-ジヒドロキシアンドロスタ-4-エン-3-オンジプロピオナート
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： C25H36O5
Molecular formula furigana： C25-H36-O5
Molecular weight： 416.558
InChI： InChI=1S/C25H36O5/c1-5-21(27)29-20-14-19-17-8-7-15-13-16(26)9-11-24(15,3)18(17)10-12-25(19,4)23(20)30-22(28)6-2/h13,17-20,23H,5-12,14H2,1-4H3/t17-,18+,19+,20-,23+,24+,25+/m1/s1
InChI key： CEJCQFWDKRWGSH-ZJASCOGOSA-N
SMILES： CCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1OC(=O)CC
Systematic name  (3)：
  • 16α,17β-ジヒドロキシアンドロスタ-4-エン-3-オンジプロピオナート
  • (1R,2R,3aS,3bR,9aR,9bS,11aS)-9a,11a-ジメチル-7-オキソ-2-(プロパノイルオキシ)-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-1-イル プロパノアート
  • (1R,2R,3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-2-(propanoyloxy)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl propanoate
Other name (2)：
  • 16α,17β-Dihydroxyandrosta-4-ene-3-one dipropionate
  • 16α,17β-Dihydroxyandrost-4-en-3-one dipropionate
KEGG COMPOUND： C15289
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