Chem
J-GLOBAL ID:200907029645321055
Nikkaji number:J1.891.598G
2-(4-Methoxyphenyl)-5-hydroxy-7-[6-O-(4-hydroxy-trans-cinnamoyl)-β-D-glucopyranosyloxy]-4H-1-benzopyran-4-one
2-(4-メトキシフェニル)-5-ヒドロキシ-7-[6-O-(4-ヒドロキシ-trans-シンナモイル)-β-D-グルコピラノシルオキシ]-4H-1-ベンゾピラン-4-オン
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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:
C31 H28 O12
Molecular formula furigana:
C31-H28-O12
Molecular weight:
592.553
InChI:
InChI=1S/C31H28O12/c1-39-19-9-5-17(6-10-19)23-14-22(34)27-21(33)12-20(13-24(27)42-23)41-31-30(38)29(37)28(36)25(43-31)15-40-26(35)11-4-16-2-7-18(32)8-3-16/h2-14,25,28-33,36-38H,15H2,1H3/b11-4+/t25-,28-,29+,30-,31-/m1/s1
InChI key:
JUXBCJJAKHMCFV-XTRYEMDWSA-N
SMILES:
COc1ccc(cc1)c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](COC(=O)/C=C/c4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)cc2o1
Systematic name (3):
2-(4-メトキシフェニル)-5-ヒドロキシ-7-[6-O-(4-ヒドロキシ-trans-シンナモイル)-β-D-グルコピラノシルオキシ]-4H-1-ベンゾピラン-4-オン
[(2R,3S,4S,5R,6S)-3,4,5-トリヒドロキシ-6-{[5-ヒドロキシ-2-(4-メトキシフェニル)-4-オキソ-4H-クロメン-7-イル]オキシ}オキサン-2-イル]メチル (2E)-3-(4-ヒドロキシフェニル)プロパ-2-エノアート
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
Other name (1):
2-(4-Methoxyphenyl)-5-hydroxy-7-[6-O-(4-hydroxy-trans-cinnamoyl)-β-D-glucopyranosyloxy]-4H-1-benzopyran-4-one
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