Chem
J-GLOBAL ID：200907085860599940   Nikkaji number：J758.349D

Alangionoside O

アランギオノシドO
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： C24H42O13
Molecular formula furigana： C24-H42-O13
Molecular weight： 538.587
InChI： InChI=1S/C24H42O13/c1-11(25)5-6-24(33)22(2,3)7-12(8-23(24,4)32)36-21-19(31)17(29)16(28)14(37-21)10-35-20-18(30)15(27)13(26)9-34-20/h5-6,11-21,25-33H,7-10H2,1-4H3/b6-5+/t11?,12-,13+,14+,15-,16+,17-,18+,19+,20-,21+,23+,24+/m0/s1
InChI key： RIHVUVZNBNYDHR-KMACOFCMSA-N
SMILES： CC(O)/C=C/[C@@]1(O)C(C)(C)C[C@@H](C[C@@]1(C)O)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)：
  • [(1S)-4β,5α-ジヒドロキシ-4-[(E)-3-ヒドロキシ-1-ブテニル]-3,3,5-トリメチルシクロヘキシル]6-O-β-D-キシロピラノシル-β-D-グルコピラノシド
  • (2R,3R,4S,5S,6R)-2-{[(1S,3R,4R)-3,4-ジヒドロキシ-4-[(1E)-3-ヒドロキシブタ-1-エン-1-イル]-3,5,5-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,3R,4R)-3,4-dihydroxy-4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-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O
  • Alangionoside O
  • [(1S)-4β,5α-Dihydroxy-4-[(E)-3-hydroxy-1-butenyl]-3,3,5-trimethylcyclohexyl]6-O-β-D-xylopyranosyl-β-D-glucopyranoside
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