Chem
J-GLOBAL ID：200907035709800246   Nikkaji number：J971.798F

(2E,6E)-3-(13C)Methyl-7,11-dimethyl(5-13C)dodecane-2,6,10-triene-1-ol diphosphoric acid

二りん酸α-[(2E,6E)-3-(13C)メチル-7,11-ジメチル-2,6,10-(5-13C)ドデカトリエニル]
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： C13[13C]2H28O7P2
Molecular formula furigana： C15-H28-O7-P2
Molecular weight： 384.314
InChI： InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11-/i4+1,6+1
InChI key： VWFJDQUYCIWHTN-JXKNIZQYSA-N
SMILES： CC(=CCC/C(=C/[13CH2]C/C(=C\COP(=O)(O)OP(=O)(O)O)/[13CH3])/C)C
Systematic name  (4)：
  • 二りん酸α-[(2E,6E)-3-(13C)メチル-7,11-ジメチル-2,6,10-(5-13C)ドデカトリエニル]
  • (2E,6E)-3-(13C)メチル-7,11-ジメチル(5-13C)ドデカン-2,6,10-トリエン-1-オール二りん酸
  • {[ヒドロキシ({[(2E,6E)-3-(13C)メチル-7,11-ジメチル(5-13C)ドデカ-2,6,10-トリエン-1-イル]オキシ})ホスホリル]オキシ}ホスホン酸
  • {[hydroxy({[(2E,6E)-3-(13C)methyl-7,11-dimethyl(5-13C)dodeca-2,6,10-trien-1-yl]oxy})phosphoryl]oxy}phosphonic acid
Other name (2)：
  • Diphosphoric acid α-[(2E,6E)-3-(13C)methyl-7,11-dimethyl-2,6,10-(5-13C)dodecatrienyl] ester
  • (2E,6E)-3-(13C)Methyl-7,11-dimethyl(5-13C)dodecane-2,6,10-triene-1-ol diphosphoric acid
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