Chem
J-GLOBAL ID：201207096531616157   Nikkaji number：J3.060.618C

Amorfrutin 4

アモルフルチン4
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： C26H32O4
Molecular formula furigana： C26-H32-O4
Molecular weight： 408.538
InChI： InChI=1S/C26H32O4/c1-18(2)9-8-10-19(3)13-16-22-23(30-4)17-21(24(25(22)27)26(28)29)15-14-20-11-6-5-7-12-20/h5-7,9,11-13,17,27H,8,10,14-16H2,1-4H3,(H,28,29)
InChI key： DKNIJLWIVUCTHW-UHFFFAOYSA-N
SMILES： COc1cc(CCc2ccccc2)c(C(=O)O)c(O)c1CC=C(C)CCC=C(C)C
Systematic name  (3)：
  • 2-ヒドロキシ-4-メトキシ-6-フェネチル-3-(3,7-ジメチル-2,6-オクタジエン-1-イル)安息香酸
  • 3-(3,7-ジメチルオクタ-2,6-ジエン-1-イル)-2-ヒドロキシ-4-メトキシ-6-(2-フェニルエチル)安息香酸
  • 3-(3,7-dimethylocta-2,6-dien-1-yl)-2-hydroxy-4-methoxy-6-(2-phenylethyl)benzoic acid
Other name (3)：
  • 2-Hydroxy-4-methoxy-6-phenethyl-3-(3,7-dimethyl-2,6-octadiene-1-yl)benzoic acid
  • アモルフルチン4
  • Amorfrutin 4
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