Chem
J-GLOBAL ID：200907029422560058   Nikkaji number：J2.641.533K

3-Oxo-16α,17β-dihydroxyandrosta-4-ene-19-al

3-オキソ-16α,17β-ジヒドロキシアンドロスタ-4-エン-19-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： C19H26O4
Molecular formula furigana： C19-H26-O4
Molecular weight： 318.413
InChI： InChI=1S/C19H26O4/c1-18-6-5-14-13(15(18)9-16(22)17(18)23)3-2-11-8-12(21)4-7-19(11,14)10-20/h8,10,13-17,22-23H,2-7,9H2,1H3/t13-,14+,15+,16-,17+,18+,19-/m1/s1
InChI key： MMVYTWOBQKPCFC-GJWDPZFISA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C=O)[C@@H]1C[C@@H](O)[C@@H]2O
Systematic name  (3)：
  • 3-オキソ-16α,17β-ジヒドロキシアンドロスタ-4-エン-19-アール
  • (1R,2R,3aS,3bS,9aS,9bS,11aS)-1,2-ジヒドロキシ-11a-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-9a-カルバルデヒド
  • (1R,2R,3aS,3bS,9aS,9bS,11aS)-1,2-dihydroxy-11a-methyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9a-carbaldehyde
Other name (1)：
  • 3-Oxo-16α,17β-dihydroxyandrosta-4-ene-19-al
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