Chem
J-GLOBAL ID：200907070312956118   Nikkaji number：J1.247.536E

Gnetuhainin D

グネツハイニンD
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： C28H24O8
Molecular formula furigana： C28-H24-O8
Molecular weight： 488.492
InChI： InChI=1S/C28H24O8/c29-15-3-1-13(2-4-15)28(36)27-21-10-19(33)12-23(35)25(21)24(14-7-17(31)9-18(32)8-14)26(27)20-6-5-16(30)11-22(20)34/h1-12,24,26-36H/t24-,26+,27+,28+/m0/s1
InChI key： BNGOSMIQKCAGQH-DQFDVREHSA-N
SMILES： O[C@@H]([C@H]1[C@@H]([C@H](c2c1cc(O)cc2O)c1cc(O)cc(O)c1)c1ccc(O)cc1O)c1ccc(O)cc1
Systematic name  (3)：
  • (1S)-1β-[(S)-α,4-ジヒドロキシベンジル]-2α-(2,4-ジヒドロキシフェニル)-3β-(3,5-ジヒドロキシフェニル)-2,3-ジヒドロ-1H-インデン-4,6-ジオール
  • (1S,2R,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)-1-[(S)-ヒドロキシ(4-ヒドロキシフェニル)メチル]-2,3-ジヒドロ-1H-インデン-4,6-ジオール
  • (1S,2R,3S)-2-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-1-[(S)-hydroxy(4-hydroxyphenyl)methyl]-2,3-dihydro-1H-indene-4,6-diol
Other name (3)：
  • (1S)-1β-[(S)-α,4-Dihydroxybenzyl]-2α-(2,4-dihydroxyphenyl)-3β-(3,5-dihydroxyphenyl)-2,3-dihydro-1H-indene-4,6-diol
  • グネツハイニンD
  • Gnetuhainin D
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