Chem
J-GLOBAL ID：200907077005968243   Nikkaji number：J494.165I

Auraptene

アウラプテン
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： C19H22O3
Molecular formula furigana： C19-H22-O3
Molecular weight： 298.382
InChI： InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3
InChI key： RSDDHGSKLOSQFK-UHFFFAOYSA-N
SMILES： CC(=CCCC(=CCOc1ccc2ccc(=O)oc2c1)C)C
Systematic name  (3)：
  • 7-[(3,7-ジメチル-2,6-オクタジエニル)オキシ]-2H-1-ベンゾピラン-2-オン
  • 7-[(3,7-ジメチルオクタ-2,6-ジエン-1-イル)オキシ]-2H-クロメン-2-オン
  • 7-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-2H-chromen-2-one
Other name (6)：
  • 7-[(3,7-Dimethyl-2,6-octadienyl)oxy]-2H-1-benzopyran-2-one
  • アウラプテン
  • Auraptene
  • 7-ゲラノキシクマリン
  • 7-Geranoxycoumarin
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CAS registry number： 29527-66-0
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