Chem
J-GLOBAL ID：200907080210169265   Nikkaji number：J2.582.213G

Bergamotin

ベルガモチン
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： C20H22O4
Molecular formula furigana： C20-H22-O4
Molecular weight： 326.392
InChI： InChI=1S/C20H22O4/c1-13(2)4-5-14(3)8-10-23-20-15-6-7-19(21)24-18(15)12-17-16(20)9-11-22-17/h4,6-9,11-12,15,20H,5,10H2,1-3H3/b14-8+
InChI key： HOUMNZXAELHCOQ-RIYZIHGNSA-N
SMILES： CC(=CC/C(=C/COC1C2C=CC(=O)OC2=Cc2occc12)/C)C
Systematic name  (3)：
  • 4,4a-ジヒドロ-4-[[(2E)-3,6-ジメチル-2,5-ヘプタジエニル]オキシ]-7H-フロ[3,2-g][1]ベンゾピラン-7-オン
  • 4-{[(2E)-3,6-ジメチルヘプタ-2,5-ジエン-1-イル]オキシ}-4H,4aH,7H-フロ[3,2-g]クロメン-7-オン
  • 4-{[(2E)-3,6-dimethylhepta-2,5-dien-1-yl]oxy}-4H,4aH,7H-furo[3,2-g]chromen-7-one
Other name (3)：
  • 4,4a-Dihydro-4-[[(2E)-3,6-dimethyl-2,5-heptadienyl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one
  • ベルガモチン
  • Bergamotin
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