Chem
J-GLOBAL ID：200907039527606822   Nikkaji number：J716.632J

(1S,4S,6R)-1,3,3-Trimethyl-6-(β-D-glucopyranosyloxy)-2-oxabicyclo[2.2.2]octan-4-ol

(1S,4S,6R)-1,3,3-トリメチル-6-(β-D-グルコピラノシルオキシ)-2-オキサビシクロ[2.2.2]オクタン-4-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： C16H28O8
Molecular formula furigana： C16-H28-O8
Molecular weight： 348.392
InChI： InChI=1S/C16H28O8/c1-14(2)16(21)5-4-15(3,24-14)9(6-16)23-13-12(20)11(19)10(18)8(7-17)22-13/h8-13,17-21H,4-7H2,1-3H3/t8-,9-,10-,11+,12-,13+,15+,16+/m1/s1
InChI key： KTPRFNBCDRCCJW-GJESKDCESA-N
SMILES： CC1(C)O[C@@]2(C)CC[C@]1(O)C[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (4)：
  • (1S,4S,6R)-1,3,3-トリメチル-6-(β-D-グルコピラノシルオキシ)-2-オキサビシクロ[2.2.2]オクタン-4-オール
  • [(1S,4S,6R)-1,3,3-トリメチル-4-ヒドロキシ-2-オキサビシクロ[2.2.2]オクタン-6-イル]β-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-2-{[(1S,4S,6R)-4-ヒドロキシ-1,3,3-トリメチル-2-オキサビシクロ[2.2.2]オクタン-6-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-{[(1S,4S,6R)-4-hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (2)：
  • (1S,4S,6R)-1,3,3-Trimethyl-6-(β-D-glucopyranosyloxy)-2-oxabicyclo[2.2.2]octan-4-ol
  • [(1S,4S,6R)-1,3,3-Trimethyl-4-hydroxy-2-oxabicyclo[2.2.2]octane-6-yl]β-D-glucopyranoside
Thsaurus map：
Thesaurus Map

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