Chem
J-GLOBAL ID：200907096327856550   Nikkaji number：J994.116I

Jasminoside E

ジャスミノシドE
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： C16H26O7
Molecular formula furigana： C16-H26-O7
Molecular weight： 330.377
InChI： InChI=1S/C16H26O7/c1-8-9(16(2,3)5-4-10(8)18)7-22-15-14(21)13(20)12(19)11(6-17)23-15/h11-15,17,19-21H,4-7H2,1-3H3/t11-,12-,13+,14-,15-/m1/s1
InChI key： LQZNCRCYYWUMOL-UXXRCYHCSA-N
SMILES： CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1=O
Systematic name  (3)：
  • 2,4,4-トリメチル-3-[(β-D-グルコピラノシルオキシ)メチル]-2-シクロヘキセン-1-オン
  • 2,4,4-トリメチル-3-({[(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}メチル)シクロヘキサ-2-エン-1-オン
  • 2,4,4-trimethyl-3-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one
Other name (3)：
  • 2,4,4-Trimethyl-3-[(β-D-glucopyranosyloxy)methyl]-2-cyclohexene-1-one
  • ジャスミノシドE
  • Jasminoside E
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