Chem
J-GLOBAL ID：200907013924162320   Nikkaji number：J1.268.857A

(R)-1-[(β-D-Glucopyranosyloxy)methyl]-5,5-dimethyl-6β-[(S)-3-hydroxy-1-butenyl]-1-cyclohexene-3-one

(R)-1-[(β-D-グルコピラノシルオキシ)メチル]-5,5-ジメチル-6β-[(S)-3-ヒドロキシ-1-ブテニル]-1-シクロヘキセン-3-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： C19H30O8
Molecular formula furigana： C19-H30-O8
Molecular weight： 386.441
InChI： InChI=1S/C19H30O8/c1-10(21)4-5-13-11(6-12(22)7-19(13,2)3)9-26-18-17(25)16(24)15(23)14(8-20)27-18/h4-6,10,13-18,20-21,23-25H,7-9H2,1-3H3/t10-,13-,14+,15+,16-,17+,18+/m0/s1
InChI key： CIEXYBWLSDBXKL-YSJZTRIVSA-N
SMILES： C[C@H](O)C=C[C@H]1C(=CC(=O)CC1(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (R)-1-[(β-D-グルコピラノシルオキシ)メチル]-5,5-ジメチル-6β-[(S)-3-ヒドロキシ-1-ブテニル]-1-シクロヘキセン-3-オン
  • (4R)-4-[(3S)-3-ヒドロキシブタ-1-エン-1-イル]-5,5-ジメチル-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
  • (4R)-4-[(3S)-3-hydroxybut-1-en-1-yl]-5,5-dimethyl-3-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one
Other name (1)：
  • (R)-1-[(β-D-Glucopyranosyloxy)methyl]-5,5-dimethyl-6β-[(S)-3-hydroxy-1-butenyl]-1-cyclohexene-3-one
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