1,3:2,4-Bis-O-[(4-methylphenyl)methylene]-D-glucitol 1-Dodecanoate-d22

Analyte Name

1,3:2,4-Bis-O-[(4-methylphenyl)methylene]-D-glucitol 1-Dodecanoate-d22

Molecular Formula

C34 D22 H26 O7

Molecular Weight

590.876

Accurate Mass

590.478

SMILES

[2H]C(C(=O)OC[C@@H](O)[C@H]1OC(O[C@H]2COC(O[C@@H]12)c3ccc(C)cc3)c4ccc(C)cc4)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

InChI

InChI=1S/C34H48O7/c1-4-5-6-7-8-9-10-11-12-13-30(36)37-22-28(35)31-32-29(39-34(40-31)27-20-16-25(3)17-21-27)23-38-33(41-32)26-18-14-24(2)15-19-26/h14-21,28-29,31-35H,4-13,22-23H2,1-3H3/t28-,29+,31-,32-,33?,34?/m1/s1/i1D3,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D/t13?,28-,29+,31-,32-,33?,34?

IUPAC

[(2R)-2-[(4R,4aR,8aS)-2,6-bis(4-methylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-2-hydroxyethyl] 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-docosadeuteriododecanoate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat