2,3-Di-O-methyl-6-O-tert-butyldimethylsilyl β-cyclodextrin

CAS Registry Number®

123155-04-4
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CAS Name

2,3-Di-O-methyl-6-O-tert-butyldimethylsilyl β-cyclodextrin

Molecular Formula

C98H196O35Si7

Molecular Mass

2131.18

Cite this Page

2,3-Di-O-methyl-6-O-tert-butyldimethylsilyl β-cyclodextrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=123155-04-4 (retrieved 2024-05-04) (CAS RN: 123155-04-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C98H196O35Si7/c1-92(2,3)134(36,37)113-50-57-64-71(99-22)78(106-29)85(120-57)128-65-58(51-114-135(38,39)93(4,5)6)122-87(80(108-31)72(65)100-23)130-67-60(53-116-137(42,43)95(10,11)12)124-89(82(110-33)74(67)102-25)132-69-62(55-118-139(46,47)97(16,17)18)126-91(84(112-35)76(69)104-27)133-70-63(56-119-140(48,49)98(19,20)21)125-90(83(111-34)77(70)105-28)131-68-61(54-117-138(44,45)96(13,14)15)123-88(81(109-32)75(68)103-26)129-66-59(52-115-136(40,41)94(7,8)9)121-86(127-64)79(107-30)73(66)101-24/h57-91H,50-56H2,1-49H3/t57-,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-,85-,86-,87-,88-,89-,90-,91-/m1/s1

InChIKey

InChIKey=YJLSGORJJHKFEN-CUVGCOKVSA-N

SMILES

C(O[Si](C(C)(C)C)(C)C)[C@@H]1[C@@]2([C@H](OC)[C@@H](OC)[C@](O1)(O[C@@]3([C@@H](CO[Si](C(C)(C)C)(C)C)O[C@@]([C@H](OC)[C@H]3OC)(O[C@@]4([C@@H](CO[Si](C(C)(C)C)(C)C)O[C@@]([C@H](OC)[C@H]4OC)(O[C@@]5([C@@H](CO[Si](C(C)(C)C)(C)C)O[C@](O[C@]6([C@H](OC)[C@@H](OC)[C@@](O[C@]7([C@H](OC)[C@@H](OC)[C@@](O[C@]8([C@H](OC)[C@@H](OC)[C@@](O2)(O[C@@H]8CO[Si](C(C)(C)C)(C)C)[H])[H])(O[C@@H]7CO[Si](C(C)(C)C)(C)C)[H])[H])(O[C@@H]6CO[Si](C(C)(C)C)(C)C)[H])[H])([C@H](OC)[C@H]5OC)[H])[H])[H])[H])[H])[H])[H])[H]

Canonical SMILES

O(C)C1C2OC(CO[Si](C)(C)C(C)(C)C)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(OC5OC(CO[Si](C)(C)C(C)(C)C)C(OC6OC(CO[Si](C)(C)C(C)(C)C)C(OC7OC(CO[Si](C)(C)C(C)(C)C)C(OC8OC(CO[Si](C)(C)C(C)(C)C)C(O2)C(OC)C8OC)C(OC)C7OC)C(OC)C6OC)C(OC)C5OC)C(OC)C4OC)C(OC)C3OC)C1OC

Other Names for this Substance

  • β-Cyclodextrin, 6A,6B,6C,6D,6E,6F,6G-heptakis-O-[(1,1-dimethylethyl)dimethylsilyl]-2A,2B,2C,2D,2E,2F,2G,3A,3B,3C,3D,3E,3F,3G-tetradeca-O-methyl-
  • 2,4,7,9,12,14,17,19,22,24,27,29,32,34-Tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane, β-cyclodextrin deriv.
  • 6A,6B,6C,6D,6E,6F,6G-Heptakis-O-[(1,1-dimethylethyl)dimethylsilyl]-2A,2B,2C,2D,2E,2F,2G,3A,3B,3C,3D,3E,3F,3G-tetradeca-O-methyl-β-cyclodextrin
  • 2,3-Di-O-methyl-6-O-tert-butyldimethylsilyl β-cyclodextrin
  • Heptakis(6-O-tert-butyldimethylsilyl-2,3-di-O-methyl)-β-cyclodextrin

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