Chem
J-GLOBAL ID：200907013796894851   Nikkaji number：J665.792C

Alangionoside I

アランギオノシドI
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： C24H42O11
Molecular formula furigana： C24-H42-O11
Molecular weight： 506.589
InChI： InChI=1S/C24H42O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-6,12-22,25-31H,7-11H2,1-4H3/t12-,13+,14-,15-,16+,17+,18-,19+,20-,21+,22+,24+/m0/s1
InChI key： KGEFHNQXQSWBCB-KFSCUXJPSA-N
SMILES： C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C=C[C@H]1[C@@H](C)C[C@H](O)CC1(C)C
Systematic name  (3)：
  • (1S,4R,5S)-4-[(R)-3-[[6-O-(D-アピオ-β-D-フラノシル)-β-D-グルコピラノシル]オキシ]-1-ブテニル]-3,3,5-トリメチル-1-シクロヘキサノール
  • (2R,3S,4S,5R,6R)-2-({[(2R,3R,4R)-3,4-ジヒドロキシ-4-(ヒドロキシメチル)オキソラン-2-イル]オキシ}メチル)-6-{[(2R)-4-[(1R,4S,6S)-4-ヒドロキシ-2,2,6-トリメチルシクロヘキシル]ブタ-3-エン-2-イル]オキシ}オキサン-3,4,5-トリオール
  • (2R,3S,4S,5R,6R)-2-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(2R)-4-[(1R,4S,6S)-4-hydroxy-2,2,6-trimethylcyclohexyl]but-3-en-2-yl]oxy}oxane-3,4,5-triol
Other name (3)：
  • アランギオノシドI
  • Alangionoside I
  • (1S,4R,5S)-4-[(R)-3-[[6-O-(D-Apio-β-D-furanosyl)-β-D-glucopyranosyl]oxy]-1-butenyl]-3,3,5-trimethyl-1-cyclohexanol
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