Chem
J-GLOBAL ID:200907046917535450   Nikkaji number:J704.048B

(6R,9S)-3-Oxo-α-ionol-9-O-β-glucopyranoside

(6R,7E,9R)-3-オキソ-α-イオノール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: C19H30O7
Molecular formula furigana: C19-H30-O7
Molecular weight: 370.442
InChI: InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15-,16+,17-,18-/m1/s1
InChI key: SZOPSAFLRCYJCX-ITEOXOHJSA-N
SMILES: C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/C=C/[C@H]1C(=CC(=O)CC1(C)C)C
Systematic name  (10):
  • (R)-3,5,5-トリメチル-4α-[(1E,3R)-3-(β-D-グルコピラノシルオキシ)-1-ブテニル]-2-シクロヘキセン-1-オン
  • [(2R,3E)-4-[(R)-4-オキソ-2,6,6-トリメチル-2-シクロヘキセニル]-3-ブテン-2-イル]β-D-グルコピラノシド
  • [(1R,2E)-1-メチル-3-[(1R)-2,6,6-トリメチル-4-オキソ-2-シクロヘキセニル]-2-プロペニル]β-D-グルコピラノシド
  • (4R)-3,5,5-トリメチル-4-[(1E,3R)-3-(β-D-グルコピラノシルオキシ)-1-ブテニル]-2-シクロヘキセン-1-オン
  • (4R)-3-メチル-4-[(1E,3R)-3-(β-D-グルコピラノシルオキシ)-1-ブテニル]-5,5-ジメチル-2-シクロヘキセン-1-オン
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Other name (11):
  • [(2R,3E)-4-[(R)-4-Oxo-2,6,6-trimethyl-2-cyclohexenyl]-3-buten-2-yl]β-D-glucopyranoside
  • [(1R,2E)-1-Methyl-3-[(1R)-2,6,6-trimethyl-4-oxo-2-cyclohexenyl]-2-propenyl]β-D-glucopyranoside
  • (4R)-3,5,5-Trimethyl-4-[(1E,3R)-3-(β-D-glucopyranosyloxy)-1-butenyl]-2-cyclohexene-1-one
  • (4R)-3-Methyl-4-[(1E,3R)-3-(β-D-glucopyranosyloxy)-1-butenyl]-5,5-dimethyl-2-cyclohexene-1-one
  • (4R)-3,5,5-Trimethyl-4α-[(1E,3R)-3-(β-D-glucopyranosyloxy)-1-butenyl]-2-cyclohexene-1-one
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