Chem
J-GLOBAL ID：200907061952387684   Nikkaji number：J1.927.771B

3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-diene-4-oic acid

3-ヒドロキシ-5,9,17-トリオキソ-4,5:9,10-ジセコアンドロスタ-1(10),2-ジエン-4-酸
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： C19H24O6
Molecular formula furigana： C19-H24-O6
Molecular weight： 348.395
InChI： InChI=1S/C19H24O6/c1-11(3-6-16(22)18(24)25)14(20)7-4-12-13-5-8-17(23)19(13,2)10-9-15(12)21/h3,6,12-13,22H,4-5,7-10H2,1-2H3,(H,24,25)/t12-,13-,19-/m0/s1
InChI key： HRJXKKSJPNWKCP-JMERFSKESA-N
SMILES： CC(=CC=C(O)C(=O)O)C(=O)CC[C@H]1[C@@H]2CCC(=O)[C@@]2(C)CCC1=O
Systematic name  (4)：
  • 4,5:9,10-ジセコ-3-ヒドロキシ-5,9,17-トリオキソアンドロスタ-1(10),2-ジエン-4-酸
  • 3-ヒドロキシ-5,9,17-トリオキソ-4,5:9,10-ジセコアンドロスタ-1(10),2-ジエン-4-酸
  • 8-[(3aS,4S,7aS)-7a-メチル-1,5-ジオキソ-オクタヒドロ-1H-インデン-4-イル]-2-ヒドロキシ-5-メチル-6-オキソオクタ-2,4-ジエン酸
  • 8-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]-2-hydroxy-5-methyl-6-oxoocta-2,4-dienoic acid
Other name (2)：
  • 4,5:9,10-Diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oic acid
  • 3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-diene-4-oic acid
KEGG COMPOUND： C04844
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