Chem
J-GLOBAL ID:200907051022297701   Nikkaji number:J1.680.156I

(5-13C)Ubiquinone 10

(5-13C)ユビキノン10
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: C58[13C]H90O4
Molecular formula furigana: C59-H90-O4
Molecular weight: 864.357
InChI: InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+/i58+1
InChI key: ACTIUHUUMQJHFO-AUBOEPDWSA-N
SMILES: COC1=[13C](OC)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)/CC/C=C(\C)/CCC=C(C)C)C1=O)C
Systematic name  (3):
  • 5,6-ジメトキシ-3-メチル-2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-デカメチル-2,6,10,14,18,22,26,30,34,38-テトラコンタデカエニル]-(5-13C)シクロヘキサン-2,5-ジエン-1,4-ジオン
  • 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-デカメチルテトラコンタ-2,6,10,14,18,22,26,30,34,38-デカエン-1-イル]-5,6-ジメトキシ-3-メチル(5-13C)シクロヘキサ-2,5-ジエン-1,4-ジオン
  • 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5,6-dimethoxy-3-methyl(5-13C)cyclohexa-2,5-diene-1,4-dione
Other name (3):
  • 5,6-Dimethoxy-3-methyl-2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecenyl]-(5-13C)cyclohexane-2,5-diene-1,4-dione
  • (5-13C)ユビキノン10
  • (5-13C)Ubiquinone 10
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