Chem
J-GLOBAL ID：200907033376172460   Nikkaji number：J663.267J

Alangionoside M

アランギオノシドM
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： C24H40O11
Molecular formula furigana： C24-H40-O11
Molecular weight： 504.573
InChI： InChI=1S/C24H40O11/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/h5-6,11,13-23,26-31H,7-10H2,1-4H3/t11-,13-,14-,15+,16+,17-,18+,19-,20+,21+,22-,23+/m0/s1
InChI key： OBECEYKERBWXFA-LWBFDQARSA-N
SMILES： C[C@H]1C[C@@H](CC(C)(C)[C@H]1C=CC(=O)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)：
  • 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]-3-ブテン-2-オン
  • 4-[(1R,4S,6S)-2,2,6-トリメチル-4-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-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-2-イル]オキシ}シクロヘキシル]ブタ-3-エン-2-オン
  • 4-[(1R,4S,6S)-2,2,6-trimethyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}cyclohexyl]but-3-en-2-one
Other name (3)：
  • アランギオノシドM
  • Alangionoside M
  • 4-[(1R,4S,6S)-4-[(6-O-β-D-Xylopyranosyl-β-D-glucopyranosyl)oxy]-2,2,6-trimethylcyclohexyl]-3-buten-2-one
Thsaurus map：
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