Chem
J-GLOBAL ID：200907002309500515   Nikkaji number：J523.686J

4α-[3-(β-D-Glucopyranosyloxy)-1-butenyl]-3,5,5-trimethyl-2-cyclohexen-1-one

4α-[3-(β-D-グルコピラノシルオキシ)-1-ブテニル]-3,5,5-トリメチル-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： 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/t11?,13-,14+,15+,16-,17+,18+/m0/s1
InChI key： SZOPSAFLRCYJCX-LUZXXFJLSA-N
SMILES： CC(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  (3)：
  • 4α-[3-(β-D-グルコピラノシルオキシ)-1-ブテニル]-3,5,5-トリメチル-2-シクロヘキセン-1-オン
  • (4R)-3,5,5-トリメチル-4-(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}ブタ-1-エン-1-イル)シクロヘキサ-2-エン-1-オン
  • (4R)-3,5,5-trimethyl-4-(3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl)cyclohex-2-en-1-one
Other name (1)：
  • 4α-[3-(β-D-Glucopyranosyloxy)-1-butenyl]-3,5,5-trimethyl-2-cyclohexen-1-one
Thsaurus map：
Thesaurus Map

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