Chem
J-GLOBAL ID:200907027838694760   Nikkaji number:J2.652.496B

4,5-[[(3S,7R)-1-Oxo-3-hydroxyoctane-1,7-diyl]oxy(1-oxoethane-1,2-diyl)]benzene-1,3-diol

4,5-[[(3S,7R)-1-オキソ-3-ヒドロキシオクタン-1,7-ジイル]オキシ(1-オキソエタン-1,2-ジイル)]ベンゼン-1,3-ジオール
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: C16H20O6
Molecular formula furigana: C16-H20-O6
Molecular weight: 308.330
InChI: InChI=1S/C16H20O6/c1-9-3-2-4-11(17)7-13(19)16-10(6-15(21)22-9)5-12(18)8-14(16)20/h5,8-9,11,17-18,20H,2-4,6-7H2,1H3/t9-,11+/m1/s1
InChI key: QPBNFQKLPIXNFL-KOLCDFICSA-N
SMILES: C[C@@H]1CCC[C@H](O)CC(=O)c2c(O)cc(O)cc2CC(=O)O1
Systematic name  (4):
  • (4R)-4α-メチル-8α,11,13-トリヒドロキシ-1,4,5,6,7,8,9,10-オクタヒドロ-2H-3-ベンゾオキサシクロドデシン-2,10-ジオン
  • 4,5-[[(3S,7R)-1-オキソ-3-ヒドロキシオクタン-1,7-ジイル]オキシ(1-オキソエタン-1,2-ジイル)]ベンゼン-1,3-ジオール
  • (4R,8S)-8,11,13-トリヒドロキシ-4-メチル-2,4,5,6,7,8,9,10-オクタヒドロ-1H-3-ベンゾオキサシクロドデシン-2,10-ジオン
  • (4R,8S)-8,11,13-trihydroxy-4-methyl-2,4,5,6,7,8,9,10-octahydro-1H-3-benzoxacyclododecine-2,10-dione
Other name (2):
  • (4R)-4α-Methyl-8α,11,13-trihydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3-benzooxacyclododecin-2,10-dione
  • 4,5-[[(3S,7R)-1-Oxo-3-hydroxyoctane-1,7-diyl]oxy(1-oxoethane-1,2-diyl)]benzene-1,3-diol
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