Chem
J-GLOBAL ID：200907040374576536   Nikkaji number：J2.363.220I

2-[4-[6-O-(3,5-Dihydroxy-3-methyl-1,5-dioxopentyl)-β-D-glucopyranosyloxy]-3-methoxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one

2-[4-[6-O-(3,5-ジヒドロキシ-3-メチル-1,5-ジオキソペンチル)-β-D-グルコピラノシルオキシ]-3-メトキシフェニル]-5,7-ジヒドロキシ-4H-1-ベンゾピラン-4-オン
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： C28H30O15
Molecular formula furigana： C28-H30-O15
Molecular weight： 606.533
InChI： InChI=1S/C28H30O15/c1-28(38,9-21(32)33)10-22(34)40-11-20-24(35)25(36)26(37)27(43-20)42-16-4-3-12(5-18(16)39-2)17-8-15(31)23-14(30)6-13(29)7-19(23)41-17/h3-8,20,24-27,29-30,35-38H,9-11H2,1-2H3,(H,32,33)/t20-,24-,25+,26-,27-,28?/m1/s1
InChI key： GAXZPBGLXNJLCJ-YPBUJEOQSA-N
SMILES： COc1cc(ccc1O[C@@H]1O[C@H](COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cc(=O)c2c(O)cc(O)cc2o1
Systematic name  (3)：
  • 2-[4-[6-O-(3,5-ジヒドロキシ-3-メチル-1,5-ジオキソペンチル)-β-D-グルコピラノシルオキシ]-3-メトキシフェニル]-5,7-ジヒドロキシ-4H-1-ベンゾピラン-4-オン
  • 5-{[(2R,3S,4S,5R,6S)-6-[4-(5,7-ジヒドロキシ-4-オキソ-4H-クロメン-2-イル)-2-メトキシフェノキシ]-3,4,5-トリヒドロキシオキサン-2-イル]メトキシ}-3-ヒドロキシ-3-メチル-5-オキソペンタン酸
  • 5-{[(2R,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-hydroxy-3-methyl-5-oxopentanoic acid
Other name (1)：
  • 2-[4-[6-O-(3,5-Dihydroxy-3-methyl-1,5-dioxopentyl)-β-D-glucopyranosyloxy]-3-methoxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
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