Chem
J-GLOBAL ID：200907099581737072   Nikkaji number：J1.762.788K

Pabularin C

パブラリンC
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： C28H30O13
Molecular formula furigana： C28-H30-O13
Molecular weight： 574.535
InChI： InChI=1S/C28H30O13/c1-13-22(16(30)7-9-35-13)40-27-25(21(34)20(33)17(11-29)38-27)41-28(2,3)18(31)12-37-26-23-15(6-8-36-23)10-14-4-5-19(32)39-24(14)26/h4-10,17-18,20-21,25,27,29,31,33-34H,11-12H2,1-3H3/t17-,18?,20-,21+,25-,27+/m1/s1
InChI key： TVYVCVYVQZGQGT-DLRDQZIBSA-N
SMILES： Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
Systematic name  (3)：
  • 3-[2-O-[2-ヒドロキシ-3-(7-オキソ-7H-フロ[3,2-g][1]ベンゾピラン-9-イルオキシ)-1,1-ジメチルプロピル]-β-D-グルコピラノシルオキシ]-2-メチル-4H-ピラン-4-オン
  • 3-{[(2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-3-{[3-ヒドロキシ-2-メチル-4-({7-オキソ-7H-フロ[3,2-g]クロメン-9-イル}オキシ)ブタン-2-イル]オキシ}-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-2-メチル-4H-ピラン-4-オン
  • 3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-{[3-hydroxy-2-methyl-4-({7-oxo-7H-furo[3,2-g]chromen-9-yl}oxy)butan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-2-methyl-4H-pyran-4-one
Other name (3)：
  • 3-[2-O-[2-Hydroxy-3-(7-oxo-7H-furo[3,2-g][1]benzopyran-9-yloxy)-1,1-dimethylpropyl]-β-D-glucopyranosyloxy]-2-methyl-4H-pyran-4-one
  • パブラリンC
  • Pabularin C
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