Chem
J-GLOBAL ID：200907016331195972   Nikkaji number：J366.904A

Demethyloleuropein

デメチルオロイロペイン
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： C24H30O13
Molecular formula furigana： C24-H30-O13
Molecular weight： 526.491
InChI： InChI=1S/C24H30O13/c1-2-12-13(8-18(28)34-6-5-11-3-4-15(26)16(27)7-11)14(22(32)33)10-35-23(12)37-24-21(31)20(30)19(29)17(9-25)36-24/h2-4,7,10,13,17,19-21,23-27,29-31H,5-6,8-9H2,1H3,(H,32,33)/b12-2+/t13-,17+,19+,20-,21+,23-,24-/m0/s1
InChI key： HKVGJQVJNQRJPO-VTDDDATNSA-N
SMILES： C/C=C\1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C([C@H]1CC(=O)OCCc1ccc(O)c(O)c1)C(=O)O
Systematic name  (4)：
  • (2S)-3-[(E)-エチリデン]-2-(β-D-グルコピラノシルオキシ)-3,4-ジヒドロ-5-ヒドロキシカルボニル-2H-ピラン-4α-酢酸[2-(3,4-ジヒドロキシフェニル)エチル]
  • [(2S,4S)-2-(β-D-グルコピラノシルオキシ)-3-[(E)-エチリデン]-5-カルボキシ-2,3-ジヒドロ-4H-ピラン-4-イル]酢酸1-(3,4-ジヒドロキシフェネチル)
  • (2S,3E,4S)-4-{2-[2-(3,4-ジヒドロキシフェニル)エトキシ]-2-オキソエチル}-3-エチリデン-2-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-3,4-ジヒドロ-2H-ピラン-5-カルボン酸
  • (2S,3E,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid
Other name (4)：
  • Demethyloleuropein
  • デメチルオロイロペイン
  • (2S)-3-[(E)-Ethylidene]-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-hydroxycarbonyl-2H-pyran-4α-acetic acid [2-(3,4-dihydroxyphenyl)ethyl] ester
  • [(2S,4S)-2-(β-D-Glucopyranosyloxy)-3-[(E)-ethylidene]-5-carboxy-2,3-dihydro-4H-pyran-4-yl]acetic acid 1-(3,4-dihydroxyphenethyl) ester
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