Chem
J-GLOBAL ID：200907081949004813   Nikkaji number：J1.710.452G

Gnetal

グネタール
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： C21H16O6
Molecular formula furigana： C21-H16-O6
Molecular weight： 364.353
InChI： InChI=1S/C21H16O6/c22-10-11-5-17(26)20-18(6-11)27-21(12-1-3-14(23)4-2-12)19(20)13-7-15(24)9-16(25)8-13/h1-10,19,21,23-26H/t19-,21+/m0/s1
InChI key： OQPLDSDBGSRXSC-PZJWPPBQSA-N
SMILES： Oc1ccc(cc1)[C@H]1Oc2cc(C=O)cc(O)c2[C@@H]1c1cc(O)cc(O)c1
Systematic name  (3)：
  • (2S)-2α-(4-ヒドロキシフェニル)-3β-(3,5-ジヒドロキシフェニル)-4-ヒドロキシ-2,3-ジヒドロベンゾフラン-6-カルボアルデヒド
  • (2S,3S)-3-(3,5-ジヒドロキシフェニル)-4-ヒドロキシ-2-(4-ヒドロキシフェニル)-2,3-ジヒドロ-1-ベンゾフラン-6-カルバルデヒド
  • (2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-carbaldehyde
Other name (3)：
  • (2S)-2α-(4-Hydroxyphenyl)-3β-(3,5-dihydroxyphenyl)-4-hydroxy-2,3-dihydrobenzofuran-6-carbaldehyde
  • グネタール
  • Gnetal
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