Analyte Name

Heptakis(6-O-tert-butyldimethylsilyl)-beta-cyclodextrin Tetradecaacetate

CAS Number

123172-94-1

Molecular Formula

C112H196O49Si7

Molecular Weight

2523.32

Accurate Mass

2521.123

SMILES

CC(=O)O[C@@H]1[C@@H](OC(=O)C)[C@@H]2O[C@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]4O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]5O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]6O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]7O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]8O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]1O[C@@H]2CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)C)[C@H]8OC(=O)C)[C@H](OC(=O)C)[C@H]7OC(=O)C)[C@H](OC(=O)C)[C@H]6OC(=O)C)[C@H](OC(=O)C)[C@H]5OC(=O)C)[C@H](OC(=O)C)[C@H]4OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C

InChI

InChI=1S/C112H196O49Si7/c1-57(113)134-85-78-71(50-127-162(36,37)106(15,16)17)148-99(92(85)141-64(8)120)156-79-72(51-128-163(38,39)107(18,19)20)150-101(94(143-66(10)122)86(79)135-58(2)114)158-81-74(53-130-165(42,43)109(24,25)26)152-103(96(145-68(12)124)88(81)137-60(4)116)160-83-76(55-132-167(46,47)111(30,31)32)154-105(98(147-70(14)126)90(83)139-62(6)118)161-84-77(56-133-168(48,49)112(33,34)35)153-104(97(146-69(13)125)91(84)140-63(7)119)159-82-75(54-131-166(44,45)110(27,28)29)151-102(95(144-67(11)123)89(82)138-61(5)117)157-80-73(52-129-164(40,41)108(21,22)23)149-100(155-78)93(142-65(9)121)87(80)136-59(3)115/h71-105H,50-56H2,1-49H3/t71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85+,86+,87+,88+,89+,90+,91+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-/m1/s1

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat