Chem
J-GLOBAL ID:200907018302982674   Nikkaji number:J533.238I

2,6-Bis[2,6-dihydroxy-3-(2-methylbutanoyl)-4-methoxy-5-methylbenzyl]-5-hydroxy-4-(2-methylbutanoyl)-4-cyclohexene-1,3-dione

2,6-ビス[2,6-ジヒドロキシ-3-(2-メチルブタノイル)-4-メトキシ-5-メチルベンジル]-5-ヒドロキシ-4-(2-メチルブタノイル)-4-シクロヘキセン-1,3-ジオン
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: C39H50O12
Molecular formula furigana: C39-H50-O12
Molecular weight: 710.817
InChI: InChI=1S/C39H50O12/c1-11-16(4)28(40)25-34(46)23(14-21-31(43)19(7)38(50-9)26(36(21)48)29(41)17(5)12-2)33(45)24(35(25)47)15-22-32(44)20(8)39(51-10)27(37(22)49)30(42)18(6)13-3/h16-18,23-24,43-44,46,48-49H,11-15H2,1-10H3
InChI key: WUWFPOBMEGUZGH-UHFFFAOYSA-N
SMILES: CCC(C)C(=O)C1=C(O)C(Cc2c(O)c(C)c(OC)c(C(=O)C(C)CC)c2O)C(=O)C(Cc2c(O)c(C)c(OC)c(C(=O)C(C)CC)c2O)C1=O
Systematic name  (3):
  • 2,6-ビス[2,6-ジヒドロキシ-3-(2-メチルブタノイル)-4-メトキシ-5-メチルベンジル]-5-ヒドロキシ-4-(2-メチルブタノイル)-4-シクロヘキセン-1,3-ジオン
  • 2,6-ビス({[2,6-ジヒドロキシ-4-メトキシ-3-メチル-5-(2-メチルブタノイル)フェニル]メチル})-5-ヒドロキシ-4-(2-メチルブタノイル)シクロヘキサ-4-エン-1,3-ジオン
  • 2,6-bis({[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methylbutanoyl)phenyl]methyl})-5-hydroxy-4-(2-methylbutanoyl)cyclohex-4-ene-1,3-dione
Other name (1):
  • 2,6-Bis[2,6-dihydroxy-3-(2-methylbutanoyl)-4-methoxy-5-methylbenzyl]-5-hydroxy-4-(2-methylbutanoyl)-4-cyclohexene-1,3-dione
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