2,6-Di-O-ethyl-beta-cyclodextrin
[CAS# 111689-03-3]

Identification

• Name: 2,6-Di-O-ethyl-beta-cyclodextrin
• Synonyms: Heptakis-(2,6-Di-O-Ethyl)-Beta-Cyclodextrin; 2,6-Di-O-Ethyl-Beta-Cyclodextrin; De-Beta-Cyd
• Molecular Formula: C₇₀H₁₂₆O₃₅
• Molecular Weight: 1527.74
• CAS Registry Number: 111689-03-3
• 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]2O)[C@H](O)[C@H]3OCC)COCC)[C@H](O)[C@H]4OCC)COCC)[C@H](O)[C@H]5OCC)COCC)[C@H](O)[C@H]6OCC)COCC)[C@H](O)[C@H]7OCC)COCC)[C@H](O)[C@H]8OCC)COCC
• InChI: 1S/C70H126O35/c1-15-78-29-36-50-43(71)57(85-22-8)64(92-36)100-51-37(30-79-16-2)94-66(59(44(51)72)87-24-10)102-53-39(32-81-18-4)96-68(61(46(53)74)89-26-12)104-55-41(34-83-20-6)98-70(63(48(55)76)91-28-14)105-56-42(35-84-21-7)97-69(62(49(56)77)90-27-13)103-54-40(33-82-19-5)95-67(60(47(54)75)88-25-11)101-52-38(31-80-17-3)93-65(99-50)58(45(52)73)86-23-9/h36-77H,15-35H2,1-14H3/t36-,37-,38-,39-,40-,41-,42-,43+,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m1/s1
• InChIKey: PLHMLIDUVYHXHF-ZQSHRCRISA-N