Chem
J-GLOBAL ID：200907040656271673   Nikkaji number：J518.352I

18-Oxocortisol

18-オキソコルチソール
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： C21H28O6
Molecular formula furigana： C21-H28-O6
Molecular weight： 376.449
InChI： InChI=1S/C21H28O6/c1-19-6-4-13(24)8-12(19)2-3-14-15-5-7-21(27,17(26)10-22)20(15,11-23)9-16(25)18(14)19/h8,11,14-16,18,22,25,27H,2-7,9-10H2,1H3/t14-,15-,16-,18+,19-,20+,21-/m0/s1
InChI key： XUQWWIFROYJHCU-UKSDXMLSSA-N
SMILES： C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O
Systematic name  (5)：
  • 18-オキソコルチソール
  • 11β,17,21-トリヒドロキシ-3,20-ジオキソプレグナ-4-エン-18-アール
  • 18-オキソ-11β,17,21-トリヒドロキシプレグナ-4-エン-3,20-ジオン
  • (1R,3aS,3bS,9aR,9bS,10S,11aR)-1,10-ジヒドロキシ-1-(2-ヒドロキシアセチル)-9a-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-11a-カルバルデヒド
  • (1R,3aS,3bS,9aR,9bS,10S,11aR)-1,10-dihydroxy-1-(2-hydroxyacetyl)-9a-methyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-11a-carbaldehyde
Other name (4)：
  • 18-Oxocortisol
  • 11β,17,21-Trihydroxy-3,20-dioxopregna-4-ene-18-al
  • 18-Oxo-11β,17,21-trihydroxypregna-4-ene-3,20-dione
  • 18-オキソコルチゾル
CAS registry number： 2410-60-8
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