Chem
J-GLOBAL ID:200907097398125057   Nikkaji number:J745.120B

8-O-4'-DiFA

8-O-4′-ジフェルラ酸
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: C20H18O8
Molecular formula furigana: C20-H18-O8
Molecular weight: 386.356
InChI: InChI=1S/C20H18O8/c1-26-16-10-13(3-6-14(16)21)11-18(20(24)25)28-15-7-4-12(5-8-19(22)23)9-17(15)27-2/h3-11,21H,1-2H3,(H,22,23)(H,24,25)/b8-5+,18-11-
InChI key: GGCXWTMEZZGUFT-ZMCAKAGVSA-N
SMILES: COc1cc(/C=C(\Oc2ccc(/C=C/C(=O)O)cc2OC)/C(=O)O)ccc1O
Systematic name  (10):
  • 3,3′-ジメトキシ-4-ヒドロキシ-[α,4′-オキシビス(trans-けい皮酸)]
  • α-[4-[(E)-2-カルボキシビニル]-2-メトキシフェノキシ]-4-ヒドロキシ-3-メトキシ-trans-けい皮酸
  • 3-メトキシ-4-[[(Z)-1-カルボキシ-2-(3-メトキシ-4-ヒドロキシフェニル)エテニル]オキシ]-trans-けい皮酸
  • α-[4-[(E)-2-カルボキシエテニル]-2-メトキシフェノキシ]-4-ヒドロキシ-3-メトキシけい皮酸
  • α-[2-メトキシ-4-[(E)-2-カルボキシエテニル]フェノキシ]-3-メトキシ-4-ヒドロキシ-trans-けい皮酸
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Other name (10):
  • α-[4-[(E)-2-Carboxyvinyl]-2-methoxyphenoxy]-4-hydroxy-3-methoxy-trans-cinnamic acid
  • 3-Methoxy-4-[[(Z)-1-carboxy-2-(3-methoxy-4-hydroxyphenyl)ethenyl]oxy]-trans-cinnamic acid
  • α-[4-[(E)-2-Carboxyethenyl]-2-methoxyphenoxy]-4-hydroxy-3-methoxycinnamic acid
  • α-[2-Methoxy-4-[(E)-2-carboxyethenyl]phenoxy]-3-methoxy-4-hydroxy-trans-cinnamic acid
  • (Z)-3-(4-Hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-[(E)-2-(carboxy)ethenyl]phenoxy]acrylic acid
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CAS registry number: 180387-79-5
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