Chem
J-GLOBAL ID:200907048377229730   Nikkaji number:J2.550.074A

Benzoic acid 2-O,3-O,4-O-triacetyl-6-O-methyl-β-D-glucopyranuronosyl ester

安息香酸2-O,3-O,4-O-トリアセチル-6-O-メチル-β-D-グルコピラヌロノシル
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: C20H22O11
Molecular formula furigana: C20-H22-O11
Molecular weight: 438.385
InChI: InChI=1S/C20H22O11/c1-10(21)27-14-15(28-11(2)22)17(29-12(3)23)20(30-16(14)19(25)26-4)31-18(24)13-8-6-5-7-9-13/h5-9,14-17,20H,1-4H3/t14-,15-,16-,17+,20-/m0/s1
InChI key: LQJGCROHYOBQIN-ZTTBQOKTSA-N
SMILES: COC(=O)[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Systematic name  (3):
  • 安息香酸2-O,3-O,4-O-トリアセチル-6-O-メチル-β-D-グルコピラヌロノシル
  • メチル (2S,3S,4S,5R,6S)-3,4,5-トリス(アセチルオキシ)-6-(ベンゾイルオキシ)オキサン-2-カルボキシラート
  • methyl (2S,3S,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-(benzoyloxy)oxane-2-carboxylate
Other name (1):
  • Benzoic acid 2-O,3-O,4-O-triacetyl-6-O-methyl-β-D-glucopyranuronosyl ester
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