Chem
J-GLOBAL ID：200907011609421438   Nikkaji number：J670.655J

Glucopiericidin A

グルコピエリシジンA
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： C31H47NO9
Molecular formula furigana： C31-H47-N-O9
Molecular weight： 577.715
InChI： InChI=1S/C31H47NO9/c1-9-19(4)28(41-31-27(37)26(36)25(35)23(16-33)40-31)20(5)15-18(3)12-10-11-17(2)13-14-22-21(6)24(34)29(38-7)30(32-22)39-8/h9-10,12-13,15,20,23,25-28,31,33,35-37H,11,14,16H2,1-8H3,(H,32,34)/b12-10+,17-13+,18-15+,19-9?/t20-,23-,25-,26+,27-,28+,31+/m1/s1
InChI key： YQOARHMNLCWEPG-ACSRCCRYSA-N
SMILES： COc1nc(C/C=C(\C)/C/C=C/C(=C/[C@@H](C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=CC)C)/C)c(C)c(O)c1OC
Systematic name  (3)：
  • [(1R,2R,3E,5E,8E)-10-(4-ヒドロキシ-5,6-ジメトキシ-3-メチル-2-ピリジニル)-2,4,8-トリメチル-1-(1-メチル-1-プロペニル)-3,5,8-デカトリエニル]β-D-グルコピラノシド
  • (2R,3R,4S,5S,6R)-2-{[(4R,5R,6E,8E,11E)-13-(4-ヒドロキシ-5,6-ジメトキシ-3-メチルピリジン-2-イル)-3,5,7,11-テトラメチルトリデカ-2,6,8,11-テトラエン-4-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{[(4R,5R,6E,8E,11E)-13-(4-hydroxy-5,6-dimethoxy-3-methylpyridin-2-yl)-3,5,7,11-tetramethyltrideca-2,6,8,11-tetraen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • グルコピエリシジンA
  • Glucopiericidin A
  • [(1R,2R,3E,5E,8E)-10-(4-Hydroxy-5,6-dimethoxy-3-methyl-2-pyridinyl)-2,4,8-trimethyl-1-(1-methyl-1-propenyl)-3,5,8-decatrienyl]β-D-glucopyranoside
CAS registry number： 108073-65-0
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