Chem
J-GLOBAL ID：200907059732958023   Nikkaji number：J1.031.798C

Insuloside

インスロシド
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： C40H46O16
Molecular formula furigana： C40-H46-O16
Molecular weight： 782.792
InChI： InChI=1S/C40H46O16/c1-2-26-27(19-34(46)51-15-12-24-6-10-30(44)32(18-24)54-25-7-3-22(4-8-25)11-14-41)28(38(50)52-16-13-23-5-9-29(43)31(45)17-23)21-53-39(26)56-40-37(49)36(48)35(47)33(20-42)55-40/h2-10,17-18,21,27,33,35-37,39-45,47-49H,11-16,19-20H2,1H3/b26-2+/t27-,33+,35+,36-,37+,39-,40-/m0/s1
InChI key： SREDLZCCQWSQLN-MIZSNOKISA-N
SMILES： C/C=C\1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C([C@H]1CC(=O)OCCc1ccc(O)c(Oc2ccc(CCO)cc2)c1)C(=O)OCCc1ccc(O)c(O)c1
Systematic name  (3)：
  • (2S)-3,4-ジヒドロ-3-[(E)-エチリデン]-2β-(β-D-グルコピラノシルオキシ)-5-[[2-(3,4-ジヒドロキシフェニル)エトキシ]カルボニル]-2H-ピラン-4α-酢酸2-[4-ヒドロキシ-3-[4-(2-ヒドロキシエチル)フェノキシ]フェニル]エチル
  • 2-(3,4-ジヒドロキシフェニル)エチル (2S,3E,4S)-3-エチリデン-4-[2-(2-{4-ヒドロキシ-3-[4-(2-ヒドロキシエチル)フェノキシ]フェニル}エトキシ)-2-オキソエチル]-2-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-3,4-ジヒドロ-2H-ピラン-5-カルボキシラート
  • 2-(3,4-dihydroxyphenyl)ethyl (2S,3E,4S)-3-ethylidene-4-[2-(2-{4-hydroxy-3-[4-(2-hydroxyethyl)phenoxy]phenyl}ethoxy)-2-oxoethyl]-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate
Other name (3)：
  • (2S)-3,4-Dihydro-3-[(E)-ethylidene]-2β-(β-D-glucopyranosyloxy)-5-[[2-(3,4-dihydroxyphenyl)ethoxy]carbonyl]-2H-pyran-4α-acetic acid 2-[4-hydroxy-3-[4-(2-hydroxyethyl)phenoxy]phenyl]ethyl ester
  • インスロシド
  • Insuloside
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