Chem
J-GLOBAL ID：200907019311577266   Nikkaji number：J2.741.392G

3-Demethylubiquinone-9

3-デメチルユビキノン-9
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： C53H80O4
Molecular formula furigana： C53-H80-O4
Molecular weight： 781.219
InChI： InChI=1S/C53H80O4/c1-39(2)21-13-22-40(3)23-14-24-41(4)25-15-26-42(5)27-16-28-43(6)29-17-30-44(7)31-18-32-45(8)33-19-34-46(9)35-20-36-47(10)37-38-49-48(11)50(54)52(56)53(57-12)51(49)55/h21,23,25,27,29,31,33,35,37,56H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3
InChI key： YFPCPZJYSKOLNK-UHFFFAOYSA-N
SMILES： COC1=C(O)C(=O)C(=C(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C1=O)C
Systematic name  (3)：
  • 3-ヒドロキシ-2-メトキシ-5-メチル-6-(3,7,11,15,19,23,27,31,35-ノナメチル-2,6,10,14,18,22,26,30,34-ヘキサトリアコンタノナエニル)-2,5-シクロヘキサジエン-1,4-ジオン
  • 2-ヒドロキシ-3-メトキシ-6-メチル-5-(3,7,11,15,19,23,27,31,35-ノナメチルヘキサトリアコンタ-2,6,10,14,18,22,26,30,34-ノナエン-1-イル)シクロヘキサ-2,5-ジエン-1,4-ジオン
  • 2-hydroxy-3-methoxy-6-methyl-5-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl)cyclohexa-2,5-diene-1,4-dione
Other name (3)：
  • 3-Hydroxy-2-methoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-2,5-cyclohexadiene-1,4-dione
  • 3-Demethylubiquinone-9
  • 3-デメチルユビキノン-9
KEGG COMPOUND： C03226
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