Chem
J-GLOBAL ID:200907083653264448   Nikkaji number:J1.414.284C

(4aS)-2,2-Dimethyl-4,7-dioxo-5-methoxy-2,3,4a,7,8,8a-hexahydro-4H-1-benzopyran-4a-carboxylic acid ethyl ester

(4aS)-2,2-ジメチル-4,7-ジオキソ-5-メトキシ-2,3,4a,7,8,8a-ヘキサヒドロ-4H-1-ベンゾピラン-4a-カルボン酸エチル
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: C15H20O6
Molecular formula furigana: C15-H20-O6
Molecular weight: 296.319
InChI: InChI=1S/C15H20O6/c1-5-20-13(18)15-10(17)8-14(2,3)21-12(15)7-9(16)6-11(15)19-4/h6,12H,5,7-8H2,1-4H3/t12?,15-/m1/s1
InChI key: XMUKAYYKFCHCGK-WPZCJLIBSA-N
SMILES: CCOC(=O)[C@@]12C(CC(=O)C=C1OC)OC(C)(C)CC2=O
Systematic name  (3):
  • (4aS)-2,2-ジメチル-4,7-ジオキソ-5-メトキシ-2,3,4a,7,8,8a-ヘキサヒドロ-4H-1-ベンゾピラン-4a-カルボン酸エチル
  • エチル (4aS)-5-メトキシ-2,2-ジメチル-4,7-ジオキソ-3,4,4a,7,8,8a-ヘキサヒドロ-2H-1-ベンゾピラン-4a-カルボキシラート
  • ethyl (4aS)-5-methoxy-2,2-dimethyl-4,7-dioxo-3,4,4a,7,8,8a-hexahydro-2H-1-benzopyran-4a-carboxylate
Other name (1):
  • (4aS)-2,2-Dimethyl-4,7-dioxo-5-methoxy-2,3,4a,7,8,8a-hexahydro-4H-1-benzopyran-4a-carboxylic acid ethyl ester
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