Chem
J-GLOBAL ID：201007085551978326   Nikkaji number：J2.790.714H

9-Thiocyanato-androst-4-ene-3,11,17-trione

9-チオシアナトアンドロスタ-4-エン-3,11,17-トリオン
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： C20H23NO3S
Molecular formula furigana： C20-H23-N-O3-S
Molecular weight： 357.470
InChI： InChI=1S/C20H23NO3S/c1-18-10-17(24)20(25-11-21)15(14(18)5-6-16(18)23)4-3-12-9-13(22)7-8-19(12,20)2/h9,14-15H,3-8,10H2,1-2H3/t14-,15-,18-,19-,20-/m0/s1
InChI key： DWIXJBBZGSOVLL-ZESOOZHZSA-N
SMILES： C[C@]12CC(=O)[C@@]3(SC#N)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
Systematic name  (3)：
  • 9-チオシアナトアンドロスタ-4-エン-3,11,17-トリオン
  • {[(3aS,3bS,9aS,9bR,11aS)-9a,11a-ジメチル-1,7,10-トリオキソ-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-9b-イル]スルファニル}ホルモニトリル
  • {[(3aS,3bS,9aS,9bR,11aS)-9a,11a-dimethyl-1,7,10-trioxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-9b-yl]sulfanyl}formonitrile
Other name (2)：
  • 9-Thiocyanatoandrosta-4-ene-3,11,17-trione
  • 9-Thiocyanato-androst-4-ene-3,11,17-trione
KEGG COMPOUND： C14917
Thsaurus map：
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