Chem
J-GLOBAL ID：200907062561749529   Nikkaji number：J18.308C

Ligstroside

リグストロシド
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： C25H32O12
Molecular formula furigana： C25-H32-O12
Molecular weight： 524.519
InChI： InChI=1S/C25H32O12/c1-3-15-16(10-19(28)34-9-8-13-4-6-14(27)7-5-13)17(23(32)33-2)12-35-24(15)37-25-22(31)21(30)20(29)18(11-26)36-25/h3-7,12,16,18,20-22,24-27,29-31H,8-11H2,1-2H3/b15-3+/t16-,18+,20+,21-,22+,24-,25-/m0/s1
InChI key： GMQXOLRKJQWPNB-MVVLSVRYSA-N
SMILES： COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/C)/[C@@H]1CC(=O)OCCc1ccc(O)cc1
Systematic name  (4)：
  • (2S)-3-[(E)-エチリデン]-2β-(β-D-グルコピラノシルオキシ)-3,4-ジヒドロ-5-(メトキシカルボニル)-2H-ピラン-4α-酢酸2-(4-ヒドロキシフェニル)エチル
  • (2S)-3-[(E)-エチリデン]-2-(β-D-グルコピラノシルオキシ)-3,4-ジヒドロ-5-(メトキシカルボニル)-2H-ピラン-4α-酢酸2-(4-ヒドロキシフェニル)エチル
  • メチル (2S,3E,4S)-3-エチリデン-4-{2-[2-(4-ヒドロキシフェニル)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
  • methyl (2S,3E,4S)-3-ethylidene-4-{2-[2-(4-hydroxyphenyl)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 (5)：
  • リグストロシド
  • Ligstroside
  • Ligustroside
  • (2S)-3-[(E)-Ethylidene]-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4α-acetic acid 2-(4-hydroxyphenyl)ethyl ester
  • (2S)-3-[(E)-Ethylidene]-2β-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4α-acetic acid 2-(4-hydroxyphenyl)ethyl ester
CAS registry number： 35897-92-8
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