Chem
J-GLOBAL ID：200907017804210679
Nikkaji number：J600.336B
3,6,17-Trioxoandrost-4-en-19-al
アンドロスタ-4-エン-3,6,17,19-テトラオン
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
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
Molecular formula： C19H22O4
Molecular formula furigana： C19-H22-O4
Molecular weight： 314.381
InChI：
InChI=1S/C19H22O4/c1-18-6-5-14-12(13(18)2-3-17(18)23)9-16(22)15-8-11(21)4-7-19(14,15)10-20/h8,10,12-14H,2-7,9H2,1H3/t12-,13-,14-,18-,19-/m0/s1
InChI key：
NAUNBIFIRWPWGM-JELDOXETSA-N
SMILES：
C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@]34C=O)[C@@H]1CCC2=O
Systematic name (5)：
- アンドロスタ-4-エン-3,6,17,19-テトラオン
- 3,6,17-トリオキソアンドロスタ-4-エン-19-アール
- 19-オキソアンドロスタ-4-エン-3,6,17-トリオン
- (3aS,3bR,9aS,9bS,11aS)-11a-メチル-1,5,7-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-9a-カルバルデヒド
- (3aS,3bR,9aS,9bS,11aS)-11a-methyl-1,5,7-trioxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9a-carbaldehyde
- 3,6,17-Trioxoandrost-4-en-19-al
- 19-Oxoandrosta-4-ene-3,6,17-trione
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