Chem
J-GLOBAL ID：200907058464918009   Nikkaji number：J1.498.707J

5-Demethoxy-Q9

5-デメトキシ-Q9
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/b40-23+,41-25+,42-27+,43-29+,44-31+,45-33+,46-35+,47-37+
InChI key： YFPCPZJYSKOLNK-NSCWJZNLSA-N
SMILES： COC1=C(O)C(=O)C(=C(C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C1=O)C
Systematic name  (4)：
  • 2-[(2E,6E,10E,14E,18E,22E,26E,30E)-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]-5-ヒドロキシ-6-メトキシ-3-メチル-2,5-シクロヘキサジエン-1,4-ジオン
  • 3-ヒドロキシ-2-メトキシ-5-メチル-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-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]-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-[(2E,6E,10E,14E,18E,22E,26E,30E)-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-[(2E,6E,10E,14E,18E,22E,26E,30E)-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 (4)：
  • 2-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonenyl]-5-hydroxy-6-methoxy-3-methyl-2,5-cyclohexadiene-1,4-dione
  • 3-Hydroxy-2-methoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonene-1-yl]-2,5-cyclohexadiene-1,4-dione
  • 5-デメトキシ-Q9
  • 5-Demethoxy-Q9
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