Chem
J-GLOBAL ID:200907010637570175   Nikkaji number:J1.206.088B

(2S,3E,4S)-2β-(β-D-Glucopyranosyloxy)-3-ethylidene-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4α-acetic acid (βS)-β-methoxy-3,4-dihydroxyphenethyl ester

(2S,3E,4S)-2β-(β-D-グルコピラノシルオキシ)-3-エチリデン-5-(メトキシカルボニル)-3,4-ジヒドロ-2H-ピラン-4α-酢酸(βS)-β-メトキシ-3,4-ジヒドロキシフェネチル
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: C26H34O14
Molecular formula furigana: C26-H34-O14
Molecular weight: 570.544
InChI: InChI=1S/C26H34O14/c1-4-13-14(8-20(30)37-11-19(35-2)12-5-6-16(28)17(29)7-12)15(24(34)36-3)10-38-25(13)40-26-23(33)22(32)21(31)18(9-27)39-26/h4-7,10,14,18-19,21-23,25-29,31-33H,8-9,11H2,1-3H3/b13-4+/t14-,18+,19+,21+,22-,23+,25-,26-/m0/s1
InChI key: YZPLQRBBARLPFK-RUICJLPMSA-N
SMILES: CO[C@H](COC(=O)C[C@H]1/C(=C\C)/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(=O)OC)c1ccc(O)c(O)c1
Systematic name  (4):
  • (2S,3E,4S)-2β-(β-D-グルコピラノシルオキシ)-3-エチリデン-5-(メトキシカルボニル)-3,4-ジヒドロ-2H-ピラン-4α-酢酸(βS)-β-メトキシ-3,4-ジヒドロキシフェネチル
  • (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(2S)-2-メトキシ-2-(3,4-ジヒドロキシフェニル)エチル
  • メチル (2S,3E,4S)-4-{2-[(2S)-2-(3,4-ジヒドロキシフェニル)-2-メトキシエトキシ]-2-オキソエチル}-3-エチリデン-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)-4-{2-[(2S)-2-(3,4-dihydroxyphenyl)-2-methoxyethoxy]-2-oxoethyl}-3-ethylidene-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 (2):
  • (2S,3E,4S)-2β-(β-D-Glucopyranosyloxy)-3-ethylidene-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4α-acetic acid (βS)-β-methoxy-3,4-dihydroxyphenethyl ester
  • (2S)-3-[(E)-Ethylidene]-2β-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4α-acetic acid (2S)-2-methoxy-2-(3,4-dihydroxyphenyl)ethyl ester
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