2,3,6-Tri-O-ethyl-beta-cyclodextrin
[CAS# 111689-01-1]

Identification

• Name: 2,3,6-Tri-O-ethyl-beta-cyclodextrin
• Synonyms: Heptakis-(2,3,6-Tri-O-Ethyl)-Beta-Cyclodextrin; T3321_Sigma; Heptakis(2,3,6-Tri-O-Ethyl)-Beta-Cyclodextrin
• Molecular Formula: C₈₄H₁₅₄O₃₅
• Molecular Weight: 1724.12
• CAS Registry Number: 111689-01-1
• SMILES: [C@@H]12O[C@H]8O[C@@H]([C@@H](O[C@H]7O[C@@H]([C@@H](O[C@H]6O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](O[C@H]3O[C@@H]([C@@H](O[C@@H](O[C@@H]1COCC)[C@H](OCC)[C@H]2OCC)[C@H](OCC)[C@H]3OCC)COCC)[C@H](OCC)[C@H]4OCC)COCC)[C@H](OCC)[C@H]5OCC)COCC)[C@H](OCC)[C@H]6OCC)COCC)[C@H](OCC)[C@H]7OCC)COCC)[C@H](OCC)[C@H]8OCC)COCC
• InChI: 1S/C84H154O35/c1-22-85-43-50-57-64(92-29-8)71(99-36-15)78(106-50)114-58-51(44-86-23-2)108-80(73(101-38-17)65(58)93-30-9)116-60-53(46-88-25-4)110-82(75(103-40-19)67(60)95-32-11)118-62-55(48-90-27-6)112-84(77(105-42-21)69(62)97-34-13)119-63-56(49-91-28-7)111-83(76(104-41-20)70(63)98-35-14)117-61-54(47-89-26-5)109-81(74(102-39-18)68(61)96-33-12)115-59-52(45-87-24-3)107-79(113-57)72(100-37-16)66(59)94-31-10/h50-84H,22-49H2,1-21H3/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-/m1/s1
• InChIKey: OIXDATQKMIKIRF-XEHVGNMASA-N