Chem
J-GLOBAL ID：201007076512325367   Nikkaji number：J2.788.580B

4,5α-Dihydro-2-(hydroxymethylene)testosterone

4,5α-ジヒドロ-2-(ヒドロキシメチレン)テストステロン
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： C20H30O3
Molecular formula furigana： C20-H30-O3
Molecular weight： 318.457
InChI： InChI=1S/C20H30O3/c1-19-8-7-16-14(15(19)5-6-18(19)23)4-3-13-9-17(22)12(11-21)10-20(13,16)2/h11,13-16,18,21,23H,3-10H2,1-2H3/t13-,14-,15-,16-,18-,19-,20-/m0/s1
InChI key： DKCLFTBKKHWBQS-YNZDMMAESA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)C(=CO)C[C@]34C)[C@@H]1CC[C@@H]2O
Systematic name  (3)：
  • 17β-ヒドロキシ-2-(ヒドロキシメチレン)-5α-アンドロスタン-3-オン
  • (1S,3aS,3bR,5aS,9aS,9bS,11aS)-1-ヒドロキシ-8-(ヒドロキシメチリデン)-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-オン
  • (1S,3aS,3bR,5aS,9aS,9bS,11aS)-1-hydroxy-8-(hydroxymethylidene)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one
Other name (4)：
  • 17β-Hydroxy-2-(hydroxymethylene)-5α-androstane-3-one
  • 4,5α-Dihydro-2-(hydroxymethylene)testosterone
  • 17β-Hydroxy-2-hydroxymethylene-5α-androstan-3-one
  • 4,5α-ジヒドロ-2-(ヒドロキシメチレン)テストステロン
CAS registry number： 4033-95-8
KEGG COMPOUND： C14628
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