Chem
J-GLOBAL ID：200907001933341565   Nikkaji number：J1.528.454D

Gnetuhainin M

グネツハイニンM
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： C42H32O11
Molecular formula furigana： C42-H32-O11
Molecular weight： 712.707
InChI： InChI=1S/C42H32O11/c43-24-5-2-20(3-6-24)1-4-21-11-30(49)19-35-36(21)37(22-12-26(45)16-27(46)13-22)41(52-35)32-9-10-33(50)39-38(23-14-28(47)17-29(48)15-23)40(53-42(32)39)31-8-7-25(44)18-34(31)51/h1-19,37-38,40-41,43-51H/b4-1+/t37-,38-,40+,41+/m0/s1
InChI key： SBAYNGXEDJLMOG-IZZRYAQXSA-N
SMILES： Oc1ccc(/C=C/c2cc(O)cc3O[C@@H]([C@H](c23)c2cc(O)cc(O)c2)c2ccc(O)c3[C@@H]([C@H](Oc23)c2ccc(O)cc2O)c2cc(O)cc(O)c2)cc1
Systematic name  (3)：
  • (2S,2′S,3S,3′S)-2′-(2,4-ジヒドロキシフェニル)-3,3′-ビス(3,5-ジヒドロキシフェニル)-4-[(E)-4-ヒドロキシスチリル]-2,2′,3,3′-テトラヒドロ-2,7′-ビ[ベンゾフラン]-4′,6-ジオール
  • 5-[(2S,3S)-2-[(2S,3S)-2-(2,4-ジヒドロキシフェニル)-3-(3,5-ジヒドロキシフェニル)-4-ヒドロキシ-2,3-ジヒドロ-1-ベンゾフラン-7-イル]-6-ヒドロキシ-4-[(1E)-2-(4-ヒドロキシフェニル)エテニル]-2,3-ジヒドロ-1-ベンゾフラン-3-イル]ベンゼン-1,3-ジオール
  • 5-[(2S,3S)-2-[(2S,3S)-2-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4-hydroxy-2,3-dihydro-1-benzofuran-7-yl]-6-hydroxy-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
Other name (3)：
  • (2S,2′S,3S,3′S)-2′-(2,4-Dihydroxyphenyl)-3,3′-bis(3,5-dihydroxyphenyl)-4-[(E)-4-hydroxystyryl]-2,2′,3,3′-tetrahydro-2,7′-bi[benzofuran]-4′,6-diol
  • グネツハイニンM
  • Gnetuhainin M
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