Chem
J-GLOBAL ID：201007017127603333   Nikkaji number：J2.791.802F

17β-(Acetoxymethyl)androst-4-en-3-one

17β-(アセトキシメチル)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： C22H32O3
Molecular formula furigana： C22-H32-O3
Molecular weight： 344.495
InChI： InChI=1S/C22H32O3/c1-14(23)25-13-16-5-7-19-18-6-4-15-12-17(24)8-10-21(15,2)20(18)9-11-22(16,19)3/h12,16,18-20H,4-11,13H2,1-3H3/t16-,18+,19+,20+,21+,22-/m1/s1
InChI key： BZOKWUURHSTMML-UFMPMKONSA-N
SMILES： CC(=O)OC[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 17β-(アセトキシメチル)アンドロスタ-4-エン-3-オン
  • [(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-ジメチル-7-オキソ-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]メチル アセタート
  • [(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]methyl acetate
Other name (2)：
  • 17β-(Acetoxymethyl)androst-4-en-3-one
  • 17β-(Hydroxymethyl)androst-4-en-3-one acetate
KEGG COMPOUND： C15064
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