Chem
J-GLOBAL ID：200907000157444360   Nikkaji number：J391.909I

Miyabenol C

ミヤベノール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： C42H32O9
Molecular formula furigana： C42-H32-O9
Molecular weight： 680.709
InChI： InChI=1S/C42H32O9/c43-27-9-2-22(3-10-27)1-4-25-15-32(48)20-35-37(25)40(42(50-35)24-7-13-29(45)14-8-24)34-19-33(49)21-36-39(34)38(26-16-30(46)18-31(47)17-26)41(51-36)23-5-11-28(44)12-6-23/h1-21,38,40-49H/t38-,40+,41+,42-/m1/s1
InChI key： RKFYYCKIHVEWHX-QIRDGMKKSA-N
SMILES： Oc1ccc(C=Cc2cc(O)cc3O[C@@H]([C@H](c23)c2cc(O)cc3O[C@H]([C@@H](c23)c2cc(O)cc(O)c2)c2ccc(O)cc2)c2ccc(O)cc2)cc1
Systematic name  (3)：
  • (2S,2′R,3S,3′R)-3′-(3,5-ジヒドロキシフェニル)-2,2′,3,3′-テトラヒドロ-2,2′-ビス(4-ヒドロキシフェニル)-4-[2-(4-ヒドロキシフェニル)エテニル][3,4′-ビベンゾフラン]-6,6′-ジオール
  • 5-[(2R,3R)-6-ヒドロキシ-4-[(2S,3S)-6-ヒドロキシ-2-(4-ヒドロキシフェニル)-4-[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]-2-(4-ヒドロキシフェニル)-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)-6-hydroxy-4-[(2S,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
Other name (4)：
  • ミヤベノールC
  • Miyabenol C
  • (2S,2′R,3S,3′R)-3′-(3,5-Dihydroxyphenyl)-2,2′,3,3′-tetrahydro-2,2′-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl][3,4′-bibenzofuran]-6,6′-diol
  • trans-ミヤベノールC
CAS registry number： 109605-83-6
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