Chem
J-GLOBAL ID：200907045526093805   Nikkaji number：J1.529.744A

Gnetulin

グネツリン
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： C30H26O8
Molecular formula furigana： C30-H26-O8
Molecular weight： 514.530
InChI： InChI=1S/C30H26O8/c1-37-26-8-15(3-5-23(26)34)7-21-22-13-20(33)14-25(36)30(22)29(16-4-6-24(35)27(11-16)38-2)28(21)17-9-18(31)12-19(32)10-17/h3-14,28-29,31-36H,1-2H3/b21-7-/t28-,29+/m1/s1
InChI key： YUGHGAXRXHODHK-SRKFGSSISA-N
SMILES： COc1cc(/C=C/2\[C@H]([C@@H](c3c2cc(O)cc3O)c2ccc(O)c(OC)c2)c2cc(O)cc(O)c2)ccc1O
Systematic name  (3)：
  • 1-[(E)-3-メトキシ-4-ヒドロキシベンジリデン]-2β-(3,5-ジヒドロキシフェニル)-3α-(3-メトキシ-4-ヒドロキシフェニル)-4,6-インダンジオール
  • (1E,2R,3R)-2-(3,5-ジヒドロキシフェニル)-3-(4-ヒドロキシ-3-メトキシフェニル)-1-[(4-ヒドロキシ-3-メトキシフェニル)メチリデン]-2,3-ジヒドロ-1H-インデン-4,6-ジオール
  • (1E,2R,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1H-indene-4,6-diol
Other name (3)：
  • 1-[(E)-3-Methoxy-4-hydroxybenzylidene]-2β-(3,5-dihydroxyphenyl)-3α-(3-methoxy-4-hydroxyphenyl)-4,6-indandiol
  • グネツリン
  • Gnetulin
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