Chem
J-GLOBAL ID：200907027935094386   Nikkaji number：J1.870.823J

7′′-O-β-D-Glucopyranosylsessifolide

7′′-O-β-D-グルコピラノシルセッシフォリド
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： C32H38O18
Molecular formula furigana： C32-H38-O18
Molecular weight： 710.638
InChI： InChI=1S/C32H38O18/c1-3-32(50-31-28(42)26(40)23(37)19(8-34)49-31)10-44-9-13-14(32)6-17(47-29(13)43)20-11(2)45-16-5-12(4-15(35)21(16)24(20)38)46-30-27(41)25(39)22(36)18(7-33)48-30/h3-5,9,14,17-19,22-23,25-28,30-31,33-37,39-42H,1,6-8,10H2,2H3/t14-,17-,18-,19-,22-,23-,25+,26+,27-,28-,30-,31+,32-/m1/s1
InChI key： GMFHMEXBHZQRDJ-QNYJSHPBSA-N
SMILES： Cc1oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c(=O)c1[C@H]1C[C@@H]2C(=COC[C@]2(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C)C(=O)O1
Systematic name  (3)：
  • 5β-エテニル-3β-[7-(β-D-グルコピラノシルオキシ)-5-ヒドロキシ-2-メチル-4-オキソ-4H-1-ベンゾピラン-3-イル]-4,4aα,5,6-テトラヒドロ-5α-(β-D-グルコピラノシルオキシ)-1H,3H-ピラノ[3,4-c]ピラン-1-オン
  • 3-[(3R,4aR,5S)-5-エテニル-1-オキソ-5-{[(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}-1H,3H,4H,4aH,5H,6H-ピラノ[3,4-c]ピラン-3-イル]-5-ヒドロキシ-2-メチル-7-{[(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}-4H-クロメン-4-オン
  • 3-[(3R,4aR,5S)-5-ethenyl-1-oxo-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-3-yl]-5-hydroxy-2-methyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Other name (3)：
  • 5β-Ethenyl-3β-[7-(β-D-glucopyranosyloxy)-5-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-3-yl]-4,4aα,5,6-tetrahydro-5α-(β-D-glucopyranosyloxy)-1H,3H-pyrano[3,4-c]pyran-1-one
  • 7′′-O-β-D-グルコピラノシルセッシフォリド
  • 7′′-O-β-D-Glucopyranosylsessifolide
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