Chem
J-GLOBAL ID：200907048588432095   Nikkaji number：J655.152A

4β-Hydroxy-4-[2-(β-D-glucopyranosyloxy)ethyl]-2-cyclohexen-1-one

4β-ヒドロキシ-4-[2-(β-D-グルコピラノシルオキシ)エチル]-2-シクロヘキセン-1-オン
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： C14H22O8
Molecular formula furigana： C14-H22-O8
Molecular weight： 318.322
InChI： InChI=1S/C14H22O8/c15-7-9-10(17)11(18)12(19)13(22-9)21-6-5-14(20)3-1-8(16)2-4-14/h1,3,9-13,15,17-20H,2,4-7H2/t9-,10-,11+,12-,13-,14-/m1/s1
InChI key： KNXZAJMTQUGTCB-BUCHIQEDSA-N
SMILES： OC[C@H]1O[C@@H](OCC[C@]2(O)CCC(=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (4)：
  • (4R)-4-ヒドロキシ-4-[2-(β-D-グルコピラノシルオキシ)エチル]-2-シクロヘキセン-1-オン
  • 4β-ヒドロキシ-4-[2-(β-D-グルコピラノシルオキシ)エチル]-2-シクロヘキセン-1-オン
  • (4R)-4-ヒドロキシ-4-(2-{[(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}エチル)シクロヘキサ-2-エン-1-オン
  • (4R)-4-hydroxy-4-(2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)cyclohex-2-en-1-one
Other name (1)：
  • 4β-Hydroxy-4-[2-(β-D-glucopyranosyloxy)ethyl]-2-cyclohexen-1-one
Thsaurus map：
Thesaurus Map

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