Chem
J-GLOBAL ID：200907011321875353   Nikkaji number：J885.167K

[(1β,6β)-11-Oxobicyclo[4.4.1]undeca-3,7,9-trien-2β-yl]β-D-glucopyranoside

[(1β,6β)-11-オキソビシクロ[4.4.1]ウンデカ-3,7,9-トリエン-2β-イル]β-D-グルコピラノシド
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： C17H22O7
Molecular formula furigana： C17-H22-O7
Molecular weight： 338.356
InChI： InChI=1S/C17H22O7/c18-8-12-14(20)15(21)16(22)17(24-12)23-11-7-3-5-9-4-1-2-6-10(11)13(9)19/h1-4,6-7,9-12,14-18,20-22H,5,8H2/t9-,10+,11-,12+,14+,15-,16+,17+/m0/s1
InChI key： IPWYCAWHFMFYLF-MZXWLIACSA-N
SMILES： OC[C@H]1O[C@@H](O[C@H]2C=CC[C@@H]3C=CC=C[C@H]2C3=O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • [(1β,6β)-11-オキソビシクロ[4.4.1]ウンデカ-3,7,9-トリエン-2β-イル]β-D-グルコピラノシド
  • (1R,6R,7S)-7-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}ビシクロ[4.4.1]ウンデカ-2,4,8-トリエン-11-オン
  • (1R,6R,7S)-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}bicyclo[4.4.1]undeca-2,4,8-trien-11-one
Other name (1)：
  • [(1β,6β)-11-Oxobicyclo[4.4.1]undeca-3,7,9-trien-2β-yl]β-D-glucopyranoside
Thsaurus map：
Thesaurus Map

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