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

Ref. TR-B588692

Product Information

• Name: 1,3:2,4-Bis-O-[(4-methylphenyl)methylene]-D-glucitol 1-Dodecanoate-d22
• Synonyms: [(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
• Brand: TRC
• Description: Applications 1,3:2,4-Bis-O-[(4-methylphenyl)methylene]-D-glucitol 1-Dodecanoate-d22 is isotope labelled intermediate in the synthesis of (2R)-Sorbitan Monolauric Acid Ester-d23 (S677002), an labelled (2R)-Sorbitan monolauric acid ester (S677000) which is a lipophilic nonionic surfactant that is used as an emulsifying agent in the preparation of emulsions, creams, and ointments for pharmaceutical and cosmetic use.References Speranza, A., et al.: J. Agri. Food Chem, 61, 6505 (2013); Chao, Y., et al.: Chem. Pharma. Bull., 60, 1171 (2012)

Chemical properties

• Molecular weight: 590.876
• Formula: C₃₄D₂₂H₂₆O₇
• Color/Form: Neat
• 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?
• InChI key: InChIKey=IAEKCZCUCKUPAF-CMLCKCJDSA-N
• SMILES: [2H]C(C(=O)OC[C@@H](O)[C@H]1OC(c2ccc(C)cc2)O[C@H]2COC(c3ccc(C)cc3)O[C@H]21)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]