Chem
J-GLOBAL ID：200907057147489678   Nikkaji number：J1.262.044F

Cimicifugic acid F

シミシフギ酸F
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： C21H20O9
Molecular formula furigana： C21-H20-O9
Molecular weight： 416.382
InChI： InChI=1S/C21H20O9/c1-29-17-8-4-13(11-16(17)23)5-9-18(24)30-19(21(27)28)15(20(25)26)10-12-2-6-14(22)7-3-12/h2-9,11,15,19,22-23H,10H2,1H3,(H,25,26)(H,27,28)/b9-5+/t15-,19+/m1/s1
InChI key： SNOIAZLZFHDILU-JXNIKQLSSA-N
SMILES： COc1ccc(/C=C/C(=O)O[C@@H]([C@@H](Cc2ccc(O)cc2)C(=O)O)C(=O)O)cc1O
Systematic name  (3)：
  • (2R,3S)-2-(4-ヒドロキシベンジル)-3-(4-メトキシ-3-ヒドロキシ-trans-シンナモイルオキシ)こはく酸
  • (2S,3R)-2-{[(2E)-3-(3-ヒドロキシ-4-メトキシフェニル)プロパ-2-エノイル]オキシ}-3-[(4-ヒドロキシフェニル)メチル]ブタン二酸
  • (2S,3R)-2-{[(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}-3-[(4-hydroxyphenyl)methyl]butanedioic acid
Other name (3)：
  • (2R,3S)-2-(4-Hydroxybenzyl)-3-(4-methoxy-3-hydroxy-trans-cinnamoyloxy)succinic acid
  • シミシフギ酸F
  • Cimicifugic acid F
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