Chem
J-GLOBAL ID：200907008911323126   Nikkaji number：J663.402H

Foeniculoside II

フェニクロシドII
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： C48H42O14
Molecular formula furigana： C48-H42-O14
Molecular weight： 842.850
InChI： InChI=1S/C48H42O14/c49-22-38-43(56)44(57)45(58)48(62-38)59-34-20-35(41-37(21-34)61-46(24-5-11-29(51)12-6-24)40(41)27-16-31(53)18-32(54)17-27)42-39-26(4-1-23-2-9-28(50)10-3-23)15-33(55)19-36(39)60-47(42)25-7-13-30(52)14-8-25/h1-21,38,40,42-58H,22H2/b4-1-/t38-,40-,42+,43-,44+,45-,46+,47-,48-/m1/s1
InChI key： LIMXEMROHIJDBW-AFLNQHFFSA-N
SMILES： OC[C@H]1O[C@@H](Oc2cc3O[C@H]([C@@H](c3c(c2)[C@@H]2[C@H](Oc3cc(O)cc(/C=C\c4ccc(O)cc4)c23)c2ccc(O)cc2)c2cc(O)cc(O)c2)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
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-(4-ヒドロキシ-cis-スチリル)-6-ヒドロキシ-3,4′-ビベンゾフラン]-6′-イルβ-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-2-{[(2R,3R)-3-(3,5-ジヒドロキシフェニル)-4-[(2S,3S)-6-ヒドロキシ-2-(4-ヒドロキシフェニル)-4-[(1Z)-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-6-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-{[(2R,3R)-3-(3,5-dihydroxyphenyl)-4-[(2S,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(1Z)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • フェニクロシドII
  • Foeniculoside II
  • [(2S,2′R,3S,3′R)-3′-(3,5-Dihydroxyphenyl)-2,2′,3,3′-tetrahydro-2,2′-bis(4-hydroxyphenyl)-4-(4-hydroxy-cis-styryl)-6-hydroxy-3,4′-bibenzofuran]-6′-yl β-D-glucopyranoside
CAS registry number： 168010-11-5
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