Chem
J-GLOBAL ID：200907032623917281   Nikkaji number：J1.247.533K

Gnetuhainin A

グネツハイニンA
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： C28H22O7
Molecular formula furigana： C28-H22-O7
Molecular weight： 470.477
InChI： InChI=1S/C28H22O7/c29-18-5-2-15(3-6-18)1-4-16-9-22(33)14-25-26(16)27(17-10-20(31)12-21(32)11-17)28(35-25)23-13-19(30)7-8-24(23)34/h1-14,27-34H/b4-1+/t27-,28+/m1/s1
InChI key： QHIKGCWRKQAWCO-YVYUXZJTSA-N
SMILES： Oc1ccc(/C=C/c2cc(O)cc3O[C@H]([C@@H](c23)c2cc(O)cc(O)c2)c2cc(O)ccc2O)cc1
Systematic name  (3)：
  • (2R)-4-[(E)-2-(4-ヒドロキシフェニル)エテニル]-2β-(2,5-ジヒドロキシフェニル)-3α-(3,5-ジヒドロキシフェニル)-2,3-ジヒドロベンゾフラン-6-オール
  • 5-[(2R,3R)-2-(2,5-ジヒドロキシフェニル)-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-[(2R,3R)-2-(2,5-dihydroxyphenyl)-6-hydroxy-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
Other name (3)：
  • (2R)-4-[(E)-2-(4-Hydroxyphenyl)ethenyl]-2β-(2,5-dihydroxyphenyl)-3α-(3,5-dihydroxyphenyl)-2,3-dihydrobenzofuran-6-ol
  • グネツハイニンA
  • Gnetuhainin A
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