Chem
J-GLOBAL ID:200907048747760848
Nikkaji number:J1.954.389G
Kaempferol 3-rhamnosyldiglucoside
ケンペロール3-ラムノシルジグルコシド
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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:
C33 H40 O20
Molecular formula furigana:
C33-H40-O20
Molecular weight:
756.663
InChI:
InChI=1S/C33H40O20/c1-10-19(39)23(43)25(45)31(47-10)53-30-28(51-32-26(46)24(44)20(40)16(8-34)49-32)21(41)17(9-35)50-33(30)52-29-22(42)18-14(38)6-13(37)7-15(18)48-27(29)11-2-4-12(36)5-3-11/h2-7,10,16-17,19-21,23-26,28,30-41,43-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25+,26+,28-,30+,31-,32-,33-/m0/s1
InChI key:
ZOSYTGZBPSTVGJ-XNDJRRBESA-N
SMILES:
C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name (4):
3-(2-O-α-L-ラムノピラノシル-3-O-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-α-L-ラムノピラノシル-3-O-β-D-グルコピラノシル-β-D-グルコピラノシルオキシ)-5,7,4′-トリヒドロキシフラボン
5,7-ジヒドロキシ-3-{[(2S,3R,4S,5R,6R)-5-ヒドロキシ-6-(ヒドロキシメチル)-4-{[(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-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-2-(4-ヒドロキシフェニル)-4H-クロメン-4-オン
5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-(4-hydroxyphenyl)-4H-chromen-4-one
Other name (4):
3-(2-O-α-L-Rhamnopyranosyl-3-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-4′,5,7-trihydroxyflavone
ケンペロール3-ラムノシルジグルコシド
Kaempferol 3-rhamnosyldiglucoside
3-(2-O-α-L-Rhamnopyranosyl-3-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-5,7,4′-trihydroxyflavone
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