Chem
J-GLOBAL ID：200907090064689796   Nikkaji number：J1.017.187C

Gnetin C

グネチン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： C28H22O6
Molecular formula furigana： C28-H22-O6
Molecular weight： 454.478
InChI： InChI=1S/C28H22O6/c29-20-7-3-16(4-8-20)1-2-17-11-24(33)27-25(12-17)34-28(18-5-9-21(30)10-6-18)26(27)19-13-22(31)15-23(32)14-19/h1-15,26,28-33H/b2-1+/t26-,28+/m1/s1
InChI key： KVGHRSAHESCTFR-PXXWLXOCSA-N
SMILES： Oc1ccc(/C=C/c2cc3O[C@H]([C@@H](c3c(O)c2)c2cc(O)cc(O)c2)c2ccc(O)cc2)cc1
Systematic name  (3)：
  • (2R,3R)-2-(4-ヒドロキシフェニル)-3-(3,5-ジヒドロキシフェニル)-6-[(E)-4-ヒドロキシスチリル]-2,3-ジヒドロベンゾフラン-4-オール
  • 5-[(2R,3R)-4-ヒドロキシ-2-(4-ヒドロキシフェニル)-6-[(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)-4-hydroxy-2-(4-hydroxyphenyl)-6-[(1E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
Other name (3)：
  • (2R,3R)-2-(4-Hydroxyphenyl)-3-(3,5-dihydroxyphenyl)-6-[(E)-4-hydroxystyryl]-2,3-dihydrobenzofuran-4-ol
  • グネチンC
  • Gnetin C
CAS registry number： 84870-54-2
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