Chem
J-GLOBAL ID：200907027272507649   Nikkaji number：J107.403B

Neoisoliquiritin

ネオイソリキリチン
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： C21H22O9
Molecular formula furigana： C21-H22-O9
Molecular weight： 418.398
InChI： InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-6-7-14(16(25)9-13)15(24)8-3-11-1-4-12(23)5-2-11/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1
InChI key： XQWFHGOIUZFQPJ-LXGDFETPSA-N
SMILES： OC[C@H]1O[C@@H](Oc2ccc(C(=O)/C=C/c3ccc(O)cc3)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (E)-2′,4-ジヒドロキシ-4′-(β-D-グルコピラノシルオキシ)カルコン
  • (2E)-1-(2-ヒドロキシ-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}フェニル)-3-(4-ヒドロキシフェニル)プロパ-2-エン-1-オン
  • (2E)-1-(2-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Other name (7)：
  • 4′-グルコシル-iso-リキリチゲニン
  • 4′-Glucosyl-iso-liquiritigenin
  • 4′-グルコシルイソリキリチゲニン
  • 4′-Glucosylisoliquiritigenin
  • (E)-2′,4-Dihydroxy-4′-(β-D-glucopyranosyloxy)chalcone
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CAS registry number： 59122-93-9
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