Chem
J-GLOBAL ID：200907037906669030   Nikkaji number：J663.264E

Alangionoside J

アランギオノシドJ
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： C19H36O7
Molecular formula furigana： C19-H36-O7
Molecular weight： 376.490
InChI： InChI=1S/C19H36O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h10-18,20-24H,5-9H2,1-4H3/t10-,11+,12-,13+,14+,15+,16-,17+,18+/m0/s1
InChI key： SWEFBSBXBXTOAX-PZKIOYHUSA-N
SMILES： C[C@@H](O)CC[C@@H]1[C@@H](C)C[C@@H](CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (R)-4-[(1R,4S,6S)-4-(β-D-グルコピラノシルオキシ)-2,2,6-トリメチルシクロヘキシル]ブタン-2-オール
  • (2R,3R,4S,5S,6R)-2-{[(1S,4R,5S)-4-[(3R)-3-ヒドロキシブチル]-3,3,5-トリメチルシクロヘキシル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{[(1S,4R,5S)-4-[(3R)-3-hydroxybutyl]-3,3,5-trimethylcyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • アランギオノシドJ
  • Alangionoside J
  • (R)-4-[(1R,4S,6S)-4-(β-D-Glucopyranosyloxy)-2,2,6-trimethylcyclohexyl]butan-2-ol
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