Chem
J-GLOBAL ID：200907032187574039   Nikkaji number：J2.758.163C

Prim-O-glucosylcimifugin

prim-O-グルコシルシミフギン
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： C22H28O11
Molecular formula furigana： C22-H28-O11
Molecular weight： 468.455
InChI： InChI=1S/C22H28O11/c1-22(2,28)15-5-10-12(32-15)6-13-16(20(10)29-3)11(24)4-9(31-13)8-30-21-19(27)18(26)17(25)14(7-23)33-21/h4,6,14-15,17-19,21,23,25-28H,5,7-8H2,1-3H3/t14-,15?,17-,18+,19-,21-/m1/s1
InChI key： XIUVHOSBSDYXRG-RZMKGNTASA-N
SMILES： COc1c2CC(Oc2cc2oc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(=O)c12)C(C)(C)O
Systematic name  (4)：
  • 2,3-ジヒドロ-2-(1-ヒドロキシ-1-メチルエチル)-4-メトキシ-7-(β-D-グルコピラノシルオキシメチル)-5H-フロ[3,2-g][1]ベンゾピラン-5-オン
  • 2,3-ジヒドロ-2-(1-メチル-1-ヒドロキシエチル)-4-メトキシ-7-(β-D-グルコピラノシルオキシメチル)-5H-フロ[3,2-g][1]ベンゾピラン-5-オン
  • 2-(2-ヒドロキシプロパン-2-イル)-4-メトキシ-7-({[(2R,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}メチル)-2H,3H,5H-フロ[3,2-g]クロメン-5-オン
  • 2-(2-hydroxypropan-2-yl)-4-methoxy-7-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2H,3H,5H-furo[3,2-g]chromen-5-one
Other name (6)：
  • 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-7-(β-D-glucopyranosyloxymethyl)-5H-furo[3,2-g][1]benzopyran-5-one
  • 2,3-Dihydro-2-(1-methyl-1-hydroxyethyl)-4-methoxy-7-(β-D-glucopyranosyloxymethyl)-5H-furo[3,2-g][1]benzopyran-5-one
  • prim-O-グルコシルシミフギン
  • prim-O-Glucosylcimifugin
  • プリム-O-グルコシルシミフギン
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