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-methylcyclohexa-2,5-diene-1,4-dione



Compound number:
MolPort-016-633-346
CAS number: 303-98-0
IUPAC:
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-methylcyclohexa-2,5-diene-1,4-dione
IUPAC traditional:
coenzyme-Q10
SMILES:
[#6]-[#8]-[#6]-1=[#6](-[#8]-[#6])-[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6](-[#6])-[#6]-1=O |c:2,t:58|
InChI key:
ACTIUHUUMQJHFO-UPTCCGCDSA-N
Molecular formula:
C59H90O4
Molecular weight: 863.365
Solubility: not available

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More Information

Compound Identifiers
Compound number: MolPort-016-633-346
CAS number: 303-98-0

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000085427689
MFCD00042919
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-tetracontadecaen-1-yl]-5,6-dimethoxy-3-methyl-2,5-cyclohexadiene-1,4-dione
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-methylcyclohexa-2,5-diene-1,4-dione
5-((2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethylt etraconta-2,6,10,14,18,22,26,30,34,38-decaenyl)-2,3-dimethoxy-6-methylcyclohex a-2,5-diene-1,4-dione
Coenzyme Q10
Coenzyme Q10 (CoQ10)
Coenzyme Q10(CoQ10)
CoQ10Ubiquinone-10
Ubiquinone, Ubidecarenone, coenzyme Q, CoQ10
Ubiquinone-10CoQ10

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+
InChI key: ACTIUHUUMQJHFO-UPTCCGCDSA-N

Calculated Properties
Molecular formula: C59H90O4
Molecular weight: 863.365

Scaffolds

Other

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