Chem
J-GLOBAL ID：200907004717466468   Nikkaji number：J1.174.678K

Lespedezol B3

レスペデゾールB3
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： C40H36O9
Molecular formula furigana： C40-H36-O9
Molecular weight： 660.719
InChI： InChI=1S/C40H36O9/c1-20(2)5-4-6-21(3)7-10-27-37(46)34(45)17-29-28(38(49-39(27)29)26-12-9-23(41)15-33(26)44)13-22-14-30-35(18-32(22)43)47-19-31-25-11-8-24(42)16-36(25)48-40(30)31/h5,7-9,11-12,14-18,41-46H,4,6,10,13,19H2,1-3H3
InChI key： DMXCZIUMBYRKQW-UHFFFAOYSA-N
SMILES： CC(=CCCC(=CCc1c(O)c(O)cc2c(Cc3cc4c5oc6cc(O)ccc6c5COc4cc3O)c(oc12)c1ccc(O)cc1O)C)C
Systematic name  (3)：
  • 2-[[2-(2,4-ジヒドロキシフェニル)-5,6-ジヒドロキシ-7-(3,7-ジメチル-2,6-オクタジエニル)ベンゾフラン-3-イル]メチル]-6H-ベンゾフロ[3,2-c][1]ベンゾピラン-3,9-ジオール
  • 4-{[2-(2,4-ジヒドロキシフェニル)-7-(3,7-ジメチルオクタ-2,6-ジエン-1-イル)-5,6-ジヒドロキシ-1-ベンゾフラン-3-イル]メチル}-8,17-ジオキサテトラシクロ[8.7.0.02,7.011,16]ヘプタデカ-1(10),2(7),3,5,11,13,15-ヘプタエン-5,14-ジオール
  • 4-{[2-(2,4-dihydroxyphenyl)-7-(3,7-dimethylocta-2,6-dien-1-yl)-5,6-dihydroxy-1-benzofuran-3-yl]methyl}-8,17-dioxatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11,13,15-heptaene-5,14-diol
Other name (3)：
  • 2-[[2-(2,4-Dihydroxyphenyl)-5,6-dihydroxy-7-(3,7-dimethyl-2,6-octadienyl)benzofuran-3-yl]methyl]-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol
  • レスペデゾールB3
  • Lespedezol B3
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