Chem
J-GLOBAL ID：201507012633033095   Nikkaji number：J3.399.842B

4-β-D-Glucopyranosylbenzoic acid isopropyl ester

4-β-D-グルコピラノシル安息香酸イソプロピル
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： C16H22O7
Molecular formula furigana： C16-H22-O7
Molecular weight： 326.345
InChI： InChI=1S/C16H22O7/c1-8(2)22-16(21)10-5-3-9(4-6-10)15-14(20)13(19)12(18)11(7-17)23-15/h3-6,8,11-15,17-20H,7H2,1-2H3/t11-,12-,13+,14-,15+/m1/s1
InChI key： NOFXUEDJPFEBRW-QMIVOQANSA-N
SMILES： CC(C)OC(=O)c1ccc(cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 4-β-D-グルコピラノシル安息香酸イソプロピル
  • プロパン-2-イル 4-[(2S,3R,4R,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]ベンゾアート
  • propan-2-yl 4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoate
Other name (1)：
  • 4-β-D-Glucopyranosylbenzoic acid isopropyl ester
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