Chem
J-GLOBAL ID：201107060785433883   Nikkaji number：J2.962.877G

Illoliganoside D

イロリガノシドD
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： C22H32O14
Molecular formula furigana： C22-H32-O14
Molecular weight： 520.484
InChI： InChI=1S/C22H32O14/c1-8-13(23)15(25)17(27)21(34-8)33-7-12-14(24)16(26)18(28)22(35-12)36-19-10(30-2)5-9(20(29)32-4)6-11(19)31-3/h5-6,8,12-18,21-28H,7H2,1-4H3/t8-,12+,13-,14+,15+,16-,17+,18+,21+,22-/m0/s1
InChI key： RHPKWPCTMRQWSZ-CAZFAGSNSA-N
SMILES： COC(=O)c1cc(OC)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)c(OC)c1
Systematic name  (3)：
  • 4-[6-O-(6-デオキシ-α-L-マンノピラノシル)-β-D-グルコピラノシルオキシ]-3,5-ジメトキシ安息香酸メチル
  • メチル 3,5-ジメトキシ-4-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-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-2-イル]オキシ}ベンゾアート
  • methyl 3,5-dimethoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoate
Other name (3)：
  • 4-[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyloxy]-3,5-dimethoxybenzoic acid methyl ester
  • Illoliganoside D
  • イロリガノシドD
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