Chem
J-GLOBAL ID：200907053669665241   Nikkaji number：J2.746.332K

20-Hydroxy-3-oxopregn-4-en-21-al

20-ヒドロキシ-3-オキソプレグナ-4-エン-21-アール
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： C21H30O3
Molecular formula furigana： C21-H30-O3
Molecular weight： 330.468
InChI： InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11-12,15-19,24H,3-10H2,1-2H3/t15-,16-,17-,18+,19?,20-,21-/m0/s1
InChI key： HIXLXYQKUSOMDM-FYGMKCHKSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)C=O
Systematic name  (3)：
  • 20-ヒドロキシ-3-オキソプレグナ-4-エン-21-アール
  • 2-[(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]-2-ヒドロキシアセトアルデヒド
  • 2-[(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]-2-hydroxyacetaldehyde
Other name (2)：
  • 20-Hydroxy-3-oxopregna-4-ene-21-al
  • 20-Hydroxy-3-oxopregn-4-en-21-al
KEGG COMPOUND： C04108
Thsaurus map：
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