Chemical Compound

[(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 3,4,5-trihydroxybenzoate

[(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 3,4,5-trihydroxybenzoate 结构式
Primary record

[(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 3,4,5-trihydroxybenzoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101001425
SMILES
C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC(=C(C(=C5)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O
Canonical SMILES
C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4cc(O)c(O)c(O)c4)[C@H]3C[C@@]12O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

名称与同义词

  • 8-O-Galloylpaeoniflorin
  • J1.234.391D
  • (2R,6abeta)-3abeta-(Galloyloxymethyl)-4-(beta-D-glucopyranosyloxy)-5-methyl-2alpha,5alpha:3alpha,4alpha-dimethanohexahydrofuro[2,3-b]furan-2-ol
  • [(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 3,4,5-trihydroxybenzoate