Chem
J-GLOBAL ID:200907052586067656   Nikkaji number:J485.128E

3-[[2-O-[5-O-[(E)-3-(4-Hydroxy-3-methoxyphenyl)acryloyl]-D-apio-β-D-furanosyl]-β-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one

3-[[2-O-[5-O-[(E)-3-(4-ヒドロキシ-3-メトキシフェニル)アクリロイル]-D-アピオ-β-D-フラノシル]-β-D-グルコピラノシル]オキシ]-2-(4-ヒドロキシフェニル)-5-ヒドロキシ-7-メトキシ-4H-1-ベンゾピラン-4-オン
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: C37H38O18
Molecular formula furigana: C37-H38-O18
Molecular weight: 770.693
InChI: InChI=1S/C37H38O18/c1-48-20-12-22(41)27-24(13-20)52-31(18-5-7-19(39)8-6-18)32(29(27)44)54-35-33(30(45)28(43)25(14-38)53-35)55-36-34(46)37(47,16-51-36)15-50-26(42)10-4-17-3-9-21(40)23(11-17)49-2/h3-13,25,28,30,33-36,38-41,43,45-47H,14-16H2,1-2H3/b10-4+/t25-,28-,30+,33-,34+,35+,36+,37-/m1/s1
InChI key: GGBVEOSSAOGQGK-BRAKJYLBSA-N
SMILES: COc1cc(O)c2c(c1)oc(c1ccc(O)cc1)c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(COC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H]1O)c2=O
Systematic name  (3):
  • 3-[[2-O-[5-O-[(E)-3-(4-ヒドロキシ-3-メトキシフェニル)アクリロイル]-D-アピオ-β-D-フラノシル]-β-D-グルコピラノシル]オキシ]-2-(4-ヒドロキシフェニル)-5-ヒドロキシ-7-メトキシ-4H-1-ベンゾピラン-4-オン
  • [(3S,4R,5S)-5-{[(2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-2-{[5-ヒドロキシ-2-(4-ヒドロキシフェニル)-7-メトキシ-4-オキソ-4H-クロメン-3-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3-イル]オキシ}-3,4-ジヒドロキシオキソラン-3-イル]メチル (2E)-3-(4-ヒドロキシ-3-メトキシフェニル)プロパ-2-エノアート
  • [(3S,4R,5S)-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Other name (1):
  • 3-[[2-O-[5-O-[(E)-3-(4-Hydroxy-3-methoxyphenyl)acryloyl]-D-apio-β-D-furanosyl]-β-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
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