Chem
J-GLOBAL ID：200907016745189907   Nikkaji number：J2.446.106H

Agrimol C

アグリモールC
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： C36H44O12
Molecular formula furigana： C36-H44-O12
Molecular weight： 668.736
InChI： InChI=1S/C36H44O12/c1-8-11-22(37)25-31(43)20(14-18-28(40)16(4)35(47-6)26(33(18)45)23(38)12-9-2)30(42)21(32(25)44)15-19-29(41)17(5)36(48-7)27(34(19)46)24(39)13-10-3/h40-46H,8-15H2,1-7H3
InChI key： PFWJPXGNICZIQB-UHFFFAOYSA-N
SMILES： CCCC(=O)c1c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O)c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O)c1O
Systematic name  (3)：
  • 1,1′-[(2,4,6-トリヒドロキシ-5-ブチリル-1,3-フェニレン)ビス[メチレン(2,4-ジヒドロキシ-6-メトキシ-5-メチル-3,1-フェニレン)]]ビス(1-ブタノン)
  • 1-{3,5-ビス[(3-ブタノイル-2,6-ジヒドロキシ-4-メトキシ-5-メチルフェニル)メチル]-2,4,6-トリヒドロキシフェニル}ブタン-1-オン
  • 1-{3,5-bis[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl}butan-1-one
Other name (3)：
  • 1,1′-[(2,4,6-Trihydroxy-5-butyryl-1,3-phenylene)bis[methylene(2,4-dihydroxy-6-methoxy-5-methyl-3,1-phenylene)]]bis(1-butanone)
  • アグリモールC
  • Agrimol C
CAS registry number： 55785-59-6
KEGG COMPOUND： C10669
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