Chem
J-GLOBAL ID:200907010841424536
Nikkaji number:J1.538.484K
Kaempferol 3-O-[6-(4-coumaroyl)-β-D-glucosyl-(1→2)-β-D-glucosyl-(1→2)-β-D-glucoside]
ケンペロール3-O-[6-(4-クマロイル)-β-D-グルコシル-(1→2)-β-D-グルコシル-(1→2)-β-D-グルコシド]
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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:
C42 H46 O23
Molecular formula furigana:
C42-H46-O23
Molecular weight:
918.807
InChI:
InChI=1S/C42H46O23/c43-13-23-29(51)34(56)39(41(60-23)63-37-31(53)27-21(48)11-20(47)12-22(27)59-36(37)17-4-8-19(46)9-5-17)65-42-38(33(55)28(50)24(14-44)61-42)64-40-35(57)32(54)30(52)25(62-40)15-58-26(49)10-3-16-1-6-18(45)7-2-16/h1-12,23-25,28-30,32-35,38-48,50-52,54-57H,13-15H2/b10-3+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,38-,39-,40+,41+,42+/m1/s1
InChI key:
LFLDSGWMOQHQIG-WRICPQPISA-N
SMILES:
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2c(oc3cc(O)cc(O)c3c2=O)c2ccc(O)cc2)[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
Systematic name (4):
3-[2-O-[2-O-[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]-β-D-グルコピラノシル]-β-D-グルコピラノシルオキシ]-4′,5,7-トリヒドロキシフラボン
3-[[2-O-[2-O-[6-O-[(2E)-3-(4-ヒドロキシフェニル)プロペノイル]-β-D-グルコピラノシル]-β-D-グルコピラノシル]-β-D-グルコピラノシル]オキシ]-5,7-ジヒドロキシ-2-(4-ヒドロキシフェニル)-4H-1-ベンゾピラン-4-オン
[(2R,3S,4S,5R,6S)-6-{[(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[5,7-ジヒドロキシ-2-(4-ヒドロキシフェニル)-4-オキソ-4H-クロメン-3-イル]オキシ}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-3-イル]オキシ}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-3-イル]オキシ}-3,4,5-トリヒドロキシオキサン-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)-6-{[(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
Other name (4):
3-[2-O-[2-O-[6-O-(4-Hydroxy-trans-cinnamoyl)-β-D-glucopyranosyl]-β-D-glucopyranosyl]-β-D-glucopyranosyloxy]-4′,5,7-trihydroxyflavone
3-[[2-O-[2-O-[6-O-[(2E)-3-(4-Hydroxyphenyl)propenoyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Kaempferol 3-O-[6-(4-coumaroyl)-β-D-glucosyl-(1→2)-β-D-glucosyl-(1→2)-β-D-glucoside]
ケンペロール3-O-[6-(4-クマロイル)-β-D-グルコシル-(1→2)-β-D-グルコシル-(1→2)-β-D-グルコシド]
CAS registry number:
370883-67-3
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