Analyte Name

Di(alpha-tocopherol) Phosphate-d12

Molecular Formula

C58 D12 H87 O6 P

Molecular Weight

935.451

Accurate Mass

934.793

SMILES

[2H]C([2H])([2H])c1c(C)c2O[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CCc2c(c1OP(=O)(O)Oc3c(c(C)c4O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CCc4c3C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C58H99O6P/c1-39(2)23-17-25-41(5)27-19-29-43(7)31-21-35-57(15)37-33-51-49(13)53(45(9)47(11)55(51)61-57)63-65(59,60)64-54-46(10)48(12)56-52(50(54)14)34-38-58(16,62-56)36-22-32-44(8)30-20-28-42(6)26-18-24-40(3)4/h39-44H,17-38H2,1-16H3,(H,59,60)/t41-,42+,43-,44+,57-,58+/i9D3,10D3,13D3,14D3

IUPAC

[(2R)-2,8-dimethyl-5,7-bis(trideuteriomethyl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] [(2S)-2,8-dimethyl-5,7-bis(trideuteriomethyl)-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] hydrogen phosphate

Unlabelled CAS Number

311313-37-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat