Chem
J-GLOBAL ID：200907086574308382   Nikkaji number：J467.039F

Paeonolide

ペオノリド
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： C20H28O12
Molecular formula furigana： C20-H28-O12
Molecular weight： 460.432
InChI： InChI=1S/C20H28O12/c1-8(21)10-4-3-9(28-2)5-12(10)31-20-18(27)16(25)15(24)13(32-20)7-30-19-17(26)14(23)11(22)6-29-19/h3-5,11,13-20,22-27H,6-7H2,1-2H3/t11-,13+,14-,15+,16-,17+,18+,19-,20+/m0/s1
InChI key： IDZZECHGWAZTIB-NYBIBFQCSA-N
SMILES： COc1ccc(C(=O)C)c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1
Systematic name  (3)：
  • 1-[2-[(6-O-α-L-アラビノピラノシル-β-D-グルコピラノシル)オキシ]-4-メトキシフェニル]エタノン
  • 1-(4-メトキシ-2-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(2S,3R,4S,5S)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}メチル)オキサン-2-イル]オキシ}フェニル)エタン-1-オン
  • 1-(4-methoxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)ethan-1-one
Other name (3)：
  • ペオノリド
  • Paeonolide
  • 1-[2-[(6-O-α-L-Arabinopyranosyl-β-D-glucopyranosyl)oxy]-4-methoxyphenyl]ethanone
CAS registry number： 72520-92-4
KEGG COMPOUND： C10715
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