Analyte Name

Ubiquinol-d3 [Labelled Mixture]

Molecular Formula

C59H89D3O4

Molecular Weight

868.4

Accurate Mass

867.72

SMILES

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/CC/C(C)=C/CC1=C(C(OC([2H])([2H])[2H])=C(C(O)=C1C)OC)O.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/CC/C(C)=C/CC2=C(C(OC)=C(C(O)=C2C)OC([2H])([2H])[2H])O

InChI

InChI=1S/2C59H92O4/c2*1-44(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/h2*24,26,28,30,32,34,36,38,40,42,60-61H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b2*45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+/i14D3;13D3

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-methoxy-6-(methoxy-d3)-3-methylbenzene-1,4-diol; 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)-6-methoxy-5-(methoxy-d3)-3-methylbenzene-1,4-diol

Alternate CAS Number

144296-59-3 (d6-labelled, double -OCD3)

Unlabelled CAS Number

992-78-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat