Chem
J-GLOBAL ID：200907048062483825   Nikkaji number：J2.776.290E

Phellolactone

フェロラクトン
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： C13H14O8
Molecular formula furigana： C13-H14-O8
Molecular weight： 298.247
InChI： InChI=1S/C13H14O8/c1-19-9-4-7(2-3-8(9)14)11(16)20-5-13(18)6-21-12(17)10(13)15/h2-4,10,14-15,18H,5-6H2,1H3/t10-,13+/m0/s1
InChI key： XDFVRGIAOTYYJE-GXFFZTMASA-N
SMILES： COc1cc(ccc1O)C(=O)OC[C@@]1(O)COC(=O)[C@@H]1O
Systematic name  (3)：
  • 3-メトキシ-4-ヒドロキシ安息香酸[(3R,4R)-3,4-ジヒドロキシ-5-オキソテトラヒドロフラン-3-イル]メチル
  • [(3R,4R)-3,4-ジヒドロキシ-5-オキソオキソラン-3-イル]メチル 4-ヒドロキシ-3-メトキシベンゾアート
  • [(3R,4R)-3,4-dihydroxy-5-oxooxolan-3-yl]methyl 4-hydroxy-3-methoxybenzoate
Other name (3)：
  • 3-Methoxy-4-hydroxybenzoic acid [(3R,4R)-3,4-dihydroxy-5-oxotetrahydrofuran-3-yl]methyl ester
  • フェロラクトン
  • Phellolactone
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