Chem
J-GLOBAL ID:201507015434769910
Nikkaji number:J3.399.836H
1-(2-Carboxyphenyl)-1-deoxy-β-D-glucopyranose 1,2-lactone
1-(2-カルボキシフェニル)-1-デオキシ-β-D-グルコピラノース1,2-ラクトン
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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:
C13 H14 O6
Molecular formula furigana:
C13-H14-O6
Molecular weight:
266.249
InChI:
InChI=1S/C13H14O6/c14-5-8-9(15)10(16)12-11(18-8)6-3-1-2-4-7(6)13(17)19-12/h1-4,8-12,14-16H,5H2/t8-,9-,10+,11+,12-/m1/s1
InChI key:
RCPZMBAWJAJYBN-LDMBFOFVSA-N
SMILES:
OC[C@H]1O[C@@H]2[C@H](OC(=O)c3ccccc23)[C@@H](O)[C@@H]1O
Systematic name (3):
1-(2-カルボキシフェニル)-1-デオキシ-β-D-グルコピラノース1,2-ラクトン
(2S,4R,5S,6S,7R)-5,6-ジヒドロキシ-4-(ヒドロキシメチル)-3,8-ジオキサトリシクロ[8.4.0.02,7 ]テトラデカ-1(14),10,12-トリエン-9-オン
(2S,4R,5S,6S,7R)-5,6-dihydroxy-4-(hydroxymethyl)-3,8-dioxatricyclo[8.4.0.02,7 ]tetradeca-1(14),10,12-trien-9-one
Other name (1):
1-(2-Carboxyphenyl)-1-deoxy-β-D-glucopyranose 1,2-lactone
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