Chem
J-GLOBAL ID：200907091889404642   Nikkaji number：J663.265C

Alangionoside K

アランギオノシドK
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： C24H44O11
Molecular formula furigana： C24-H44-O11
Molecular weight： 508.605
InChI： InChI=1S/C24H44O11/c1-11-7-13(8-24(3,4)14(11)6-5-12(2)25)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h11-23,25-31H,5-10H2,1-4H3/t11-,12+,13-,14+,15+,16+,17-,18+,19-,20+,21+,22-,23+/m0/s1
InChI key： NURSGIAVBMONQM-AHKWAVKUSA-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]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (R)-4-[(1R,4S,6S)-4-[(6-O-β-D-キシロピラノシル-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-({[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}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-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
Other name (3)：
  • アランギオノシドK
  • Alangionoside K
  • (R)-4-[(1R,4S,6S)-4-[(6-O-β-D-Xylopyranosyl-β-D-glucopyranosyl)oxy]-2,2,6-trimethylcyclohexyl]butan-2-ol
Thsaurus map：
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