Chem
J-GLOBAL ID：200907058429395400   Nikkaji number：J781.331G

(9S,9aR)-2,3β-Dimethyl-8-oxo-3,3aα,5aα,6-tetrahydro-8H-7-oxaspiro[9H-cyclopent[c]indene-9,2′-oxirane]-5-carboxylic acid

(9S,9aR)-2,3β-ジメチル-8-オキソ-3,3aα,5aα,6-テトラヒドロ-8H-7-オキサスピロ[9H-シクロペンタ[c]インデン-9,2′-オキシラン]-5-カルボン酸
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： C15H16O5
Molecular formula furigana： C15-H16-O5
Molecular weight： 276.288
InChI： InChI=1S/C15H16O5/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15/h3-4,8,10-11H,5-6H2,1-2H3,(H,16,17)/t8-,10-,11-,14+,15+/m1/s1
InChI key： NUPNVWUYFVEAIT-WXZIDREFSA-N
SMILES： C[C@H]1[C@H]2C=C([C@H]3COC(=O)[C@@]4(CO4)[C@@]23C=C1C)C(=O)O
Systematic name  (3)：
  • (9S,9aR)-2,3β-ジメチル-8-オキソ-3,3aα,5aα,6-テトラヒドロ-8H-7-オキサスピロ[9H-シクロペンタ[c]インデン-9,2′-オキシラン]-5-カルボン酸
  • (1'R,2S,4'S,5'R,8'S)-3',4'-ジメチル-11'-オキソ-10'-オキサスピロ[オキシラン-2,12'-トリシクロ[6.4.0.01,5]ドデカン]-2',6'-ジエン-7'-カルボン酸
  • (1'R,2S,4'S,5'R,8'S)-3',4'-dimethyl-11'-oxo-10'-oxaspiro[oxirane-2,12'-tricyclo[6.4.0.01,5]dodecane]-2',6'-diene-7'-carboxylic acid
Other name (1)：
  • (9S,9aR)-2,3β-Dimethyl-8-oxo-3,3aα,5aα,6-tetrahydro-8H-7-oxaspiro[9H-cyclopent[c]indene-9,2′-oxirane]-5-carboxylic acid
Thsaurus map：
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