Chem
J-GLOBAL ID：200907043841720092   Nikkaji number：J2.768.785G

17-Oxogrindelic acid

17-オキソグリンデル酸
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： C20H30O4
Molecular formula furigana： C20-H30-O4
Molecular weight： 334.456
InChI： InChI=1S/C20H30O4/c1-17(2)8-5-9-19(4)15(17)7-6-14(13-21)20(19)11-10-18(3,24-20)12-16(22)23/h6,13,15H,5,7-12H2,1-4H3,(H,22,23)/t15-,18-,19-,20+/m0/s1
InChI key： ATEDUZJBBLDWGB-MVJPYGJCSA-N
SMILES： C[C@@]1(CC(=O)O)CC[C@@]2(O1)C(=CC[C@H]1C(C)(C)CCC[C@]21C)C=O
Systematic name  (3)：
  • (2S,5S)-2′-ホルミル-4,4′aα,5,5′,6′,7′,8′,8′a-オクタヒドロ-5,5′,5′,8′aβ-テトラメチルスピロ[フラン-2(3H),1′(4′H)-ナフタレン]-5-酢酸
  • 2-[(1S,4aS,5'S,8aS)-2-ホルミル-5,5,5',8a-テトラメチル-4a,5,6,7,8,8a-ヘキサヒドロ-4H-スピロ[ナフタレン-1,2'-オキソラン]-5'-イル]酢酸
  • 2-[(1S,4aS,5'S,8aS)-2-formyl-5,5,5',8a-tetramethyl-4a,5,6,7,8,8a-hexahydro-4H-spiro[naphthalene-1,2'-oxolan]-5'-yl]acetic acid
Other name (3)：
  • (2S,5S)-2′-Formyl-4,4′aα,5,5′,6′,7′,8′,8′a-octahydro-5,5′,5′,8′aβ-tetramethylspiro[furan-2(3H),1′(4′H)-naphthalene]-5-acetic acid
  • 17-Oxogrindelic acid
  • 17-オキソグリンデル酸
CAS registry number： 151625-35-3
KEGG COMPOUND： C09150
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