Chem
J-GLOBAL ID:200907086752947939   Nikkaji number:J1.528.455B

Gnetuhainin N

グネツハイニンN
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: C45H38O12
Molecular formula furigana: C45-H38-O12
Molecular weight: 770.787
InChI: InChI=1S/C45H38O12/c1-54-37-15-22(4-6-34(37)51)42-40(24-11-26(46)17-27(47)12-24)31(32-19-30(50)20-36(53)43(32)42)8-21-9-33-41(25-13-28(48)18-29(49)14-25)44(57-45(33)39(10-21)56-3)23-5-7-35(52)38(16-23)55-2/h4-20,40-42,44,46-53H,1-3H3/b31-8-/t40-,41-,42+,44+/m0/s1
InChI key: OCSURPBGSRYDAT-JFQRGHAESA-N
SMILES: COc1cc(/C=C/2\[C@@H]([C@H](c3c2cc(O)cc3O)c2ccc(O)c(OC)c2)c2cc(O)cc(O)c2)cc2[C@@H]([C@H](Oc12)c1ccc(O)c(OC)c1)c1cc(O)cc(O)c1
Systematic name  (3):
  • (2S,3S)-1-[(E)-[[(2S,3S)-2-(3-メトキシ-4-ヒドロキシフェニル)-3-(3,5-ジヒドロキシフェニル)-7-メトキシ-2,3-ジヒドロベンゾフラン]-5-イル]メチレン]-2-(3,5-ジヒドロキシフェニル)-3-(3-メトキシ-4-ヒドロキシフェニル)インダン-4,6-ジオール
  • (1E,2S,3S)-2-(3,5-ジヒドロキシフェニル)-1-{[(2S,3S)-3-(3,5-ジヒドロキシフェニル)-2-(4-ヒドロキシ-3-メトキシフェニル)-7-メトキシ-2,3-ジヒドロ-1-ベンゾフラン-5-イル]メチリデン}-3-(4-ヒドロキシ-3-メトキシフェニル)-2,3-ジヒドロ-1H-インデン-4,6-ジオール
  • (1E,2S,3S)-2-(3,5-dihydroxyphenyl)-1-{[(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methylidene}-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1H-indene-4,6-diol
Other name (3):
  • (2S,3S)-1-[(E)-[[(2S,3S)-2-(3-Methoxy-4-hydroxyphenyl)-3-(3,5-dihydroxyphenyl)-7-methoxy-2,3-dihydrobenzofuran]-5-yl]methylene]-2-(3,5-dihydroxyphenyl)-3-(3-methoxy-4-hydroxyphenyl)indan-4,6-diol
  • グネツハイニンN
  • Gnetuhainin N
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