Chem
J-GLOBAL ID：200907099645033333   Nikkaji number：J1.920.813C

Paucifloroside A

パウシフロロシドA
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： C34H32O11
Molecular formula furigana： C34-H32-O11
Molecular weight： 616.619
InChI： InChI=1S/C34H32O11/c35-16-27-30(40)31(41)32(42)34(45-27)43-25-13-19(4-1-17-2-7-21(36)8-3-17)28-26(15-25)44-33(18-5-9-22(37)10-6-18)29(28)20-11-23(38)14-24(39)12-20/h1-15,27,29-42H,16H2/b4-1+/t27-,29-,30-,31+,32-,33+,34-/m1/s1
InChI key： NHYFNLFVNSLRES-KGFZEFQWSA-N
SMILES： OC[C@H]1O[C@@H](Oc2cc3O[C@H]([C@@H](c3c(/C=C/c3ccc(O)cc3)c2)c2cc(O)cc(O)c2)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • [[(2R)-2β-(4-ヒドロキシフェニル)-3α-(3,5-ジヒドロキシフェニル)-4-[(E)-4-ヒドロキシスチリル]-2,3-ジヒドロベンゾフラン]-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)-2-(4-ヒドロキシフェニル)-4-[(1E)-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-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)-2-(4-hydroxyphenyl)-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • [[(2R)-2β-(4-Hydroxyphenyl)-3α-(3,5-dihydroxyphenyl)-4-[(E)-4-hydroxystyryl]-2,3-dihydrobenzofuran]-6-yl]β-D-glucopyranoside
  • パウシフロロシドA
  • Paucifloroside A
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