Chem
J-GLOBAL ID：200907090486616929   Nikkaji number：J2.759.756D

3-Octaprenyl-4-hydroxybenzoate

3-オクタプレニル-4-ヒドロキシ安息香酸
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： C47H70O3
Molecular formula furigana： C47-H70-O3
Molecular weight： 683.074
InChI： InChI=1S/C47H70O3/c1-36(2)17-10-18-37(3)19-11-20-38(4)21-12-22-39(5)23-13-24-40(6)25-14-26-41(7)27-15-28-42(8)29-16-30-43(9)31-32-44-35-45(47(49)50)33-34-46(44)48/h17,19,21,23,25,27,29,31,33-35,48H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,49,50)/b37-19+,38-21+,39-23+,40-25+,41-27+,42-29+,43-31+
InChI key： UTIBHEBNILDQKX-LQOKPSQISA-N
SMILES： CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(ccc1O)C(=O)O)/C)/C)/C)/C)/C)/C)/C)C
Systematic name  (3)：
  • 3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-オクタメチル-2,6,10,14,18,22,26,30-ドトリアコンタオクタエニル]-4-ヒドロキシ安息香酸
  • 4-ヒドロキシ-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-オクタメチルドトリアコンタ-2,6,10,14,18,22,26,30-オクタエン-1-イル]安息香酸
  • 4-hydroxy-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzoic acid
Other name (3)：
  • 3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-Octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaenyl]-4-hydroxybenzoic acid
  • 3-Octaprenyl-4-hydroxybenzoate
  • 3-オクタプレニル-4-ヒドロキシ安息香酸
KEGG COMPOUND： C05809
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