Chem
J-GLOBAL ID：200907012566077246   Nikkaji number：J2.771.411K

Robustaol A

ロブスタオール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： C25H30O9
Molecular formula furigana： C25-H30-O9
Molecular weight： 474.506
InChI： InChI=1S/C25H30O9/c1-10(2)7-16(27)17-22(31)14(21(30)15(9-26)24(17)33)8-13-20(29)12(5)25(34-6)18(23(13)32)19(28)11(3)4/h9-11,29-33H,7-8H2,1-6H3
InChI key： VQIUVVRPDIFIPV-UHFFFAOYSA-N
SMILES： COc1c(C)c(O)c(Cc2c(O)c(C=O)c(O)c(C(=O)CC(C)C)c2O)c(O)c1C(=O)C(C)C
Systematic name  (3)：
  • 3-[2,6-ジヒドロキシ-4-メトキシ-3-メチル-5-(2-メチルプロパノイル)ベンジル]-2,4,6-トリヒドロキシ-5-(3-メチルブチリル)ベンズアルデヒド
  • 3-{[2,6-ジヒドロキシ-4-メトキシ-3-メチル-5-(2-メチルプロパノイル)フェニル]メチル}-2,4,6-トリヒドロキシ-5-(3-メチルブタノイル)ベンズアルデヒド
  • 3-{[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl}-2,4,6-trihydroxy-5-(3-methylbutanoyl)benzaldehyde
Other name (3)：
  • 3-[2,6-Dihydroxy-4-methoxy-3-methyl-5-(2-methylpropanoyl)benzyl]-2,4,6-trihydroxy-5-(3-methylbutyryl)benzaldehyde
  • Robustaol A
  • ロブスタオールA
CAS registry number： 78411-76-4
KEGG COMPOUND： C09968
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