Chem
J-GLOBAL ID:200907054388609802   Nikkaji number:J1.471.930J

1-O-Galloyl-2-O-cinnamoylglucose

1-O-ガロイル-2-O-シンナモイルグルコース
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: C22H22O11
Molecular formula furigana: C22-H22-O11
Molecular weight: 462.407
InChI: InChI=1S/C22H22O11/c23-10-15-18(28)19(29)20(32-16(26)7-6-11-4-2-1-3-5-11)22(31-15)33-21(30)12-8-13(24)17(27)14(25)9-12/h1-9,15,18-20,22-25,27-29H,10H2/b7-6+/t15-,18-,19+,20-,22+/m1/s1
InChI key: FISMJUPMCGKNNX-PCGJYRBUSA-N
SMILES: OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)/C=C/c2ccccc2)[C@@H](O)[C@@H]1O
Systematic name  (3):
  • 1-O-ガロイル-2-O-シンナモイル-β-D-グルコピラノース
  • (2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-{[(2E)-3-フェニルプロパ-2-エノイル]オキシ}オキサン-2-イル 3,4,5-トリヒドロキシベンゾアート
  • (2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2E)-3-phenylprop-2-enoyl]oxy}oxan-2-yl 3,4,5-trihydroxybenzoate
Other name (3):
  • 1-O-Galloyl-2-O-cinnamoyl-β-D-glucopyranose
  • 1-O-Galloyl-2-O-cinnamoylglucose
  • 1-O-ガロイル-2-O-シンナモイルグルコース
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