Chem
J-GLOBAL ID：201107031215263941   Nikkaji number：J2.962.876I

Illoliganoside B

イロリガノシドB
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： C21H32O11
Molecular formula furigana： C21-H32-O11
Molecular weight： 460.476
InChI： InChI=1S/C21H32O11/c1-8-6-12(9(2)5-11(8)28-4)31-21-19(27)17(25)15(23)13(32-21)7-29-20-18(26)16(24)14(22)10(3)30-20/h5-6,10,13-27H,7H2,1-4H3/t10-,13+,14-,15+,16+,17-,18+,19+,20+,21+/m0/s1
InChI key： PMKXDHPPSHTHAX-ZLQZEYEISA-N
SMILES： COc1cc(C)c(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1C
Systematic name  (3)：
  • 2,5-ジメチル-4-メトキシフェニル6-O-(6-デオキシ-α-L-マンノピラノシル)-β-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-2-(4-メトキシ-2,5-ジメチルフェノキシ)-6-({[(2R,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}メチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-(4-methoxy-2,5-dimethylphenoxy)-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol
Other name (3)：
  • 2,5-Dimethyl-4-methoxyphenyl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
  • Illoliganoside B
  • イロリガノシドB
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