Chem
J-GLOBAL ID：200907035482943053   Nikkaji number：J1.763.436D

(2S)-3-Ethylidene-2β-(β-D-glucopyranosyloxy)-3,4-dihydro-5-carboxy-2H-pyran-4α-acetic acid

(2S)-3-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-カルボキシ-2H-ピラン-4α-酢酸
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： C16H22O11
Molecular formula furigana： C16-H22-O11
Molecular weight： 390.341
InChI： InChI=1S/C16H22O11/c1-2-6-7(3-10(18)19)8(14(23)24)5-25-15(6)27-16-13(22)12(21)11(20)9(4-17)26-16/h2,5,7,9,11-13,15-17,20-22H,3-4H2,1H3,(H,18,19)(H,23,24)/t7-,9+,11+,12-,13+,15-,16-/m0/s1
InChI key： PNMNSRMFRJNZFD-IZONKJQKSA-N
SMILES： CC=C1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C([C@H]1CC(=O)O)C(=O)O
Systematic name  (3)：
  • (2S)-3-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-カルボキシ-2H-ピラン-4α-酢酸
  • (2S,4S)-4-(カルボキシメチル)-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-カルボン酸
  • (2S,4S)-4-(carboxymethyl)-3-ethylidene-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid
Other name (1)：
  • (2S)-3-Ethylidene-2β-(β-D-glucopyranosyloxy)-3,4-dihydro-5-carboxy-2H-pyran-4α-acetic acid
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