6-O-Tosyl-γ-cyclodextrin

CAS Registry Number®

97227-33-3

CAS Name

6-O-Tosyl-γ-cyclodextrin

Molecular Formula

C55H86O42S

Molecular Mass

1451.31

Cite this Page

6-O-Tosyl-γ-cyclodextrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=97227-33-3 (retrieved 2024-11-22) (CAS RN: 97227-33-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C55H86O42S/c1-14-2-4-15(5-3-14)98(79,80)81-13-23-47-31(70)39(78)55(89-23)96-46-22(12-62)87-53(37(76)29(46)68)94-44-20(10-60)85-51(35(74)27(44)66)92-42-18(8-58)83-49(33(72)25(42)64)90-40-16(6-56)82-48(32(71)24(40)63)91-41-17(7-57)84-50(34(73)26(41)65)93-43-19(9-59)86-52(36(75)28(43)67)95-45-21(11-61)88-54(97-47)38(77)30(45)69/h2-5,16-78H,6-13H2,1H3/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m1/s1

InChIKey

InChIKey=DSTZIMMHXKJUSO-CEUKPONPSA-N

SMILES

C(OS(=O)(=O)C1=CC=C(C)C=C1)[C@@H]2[C@]3(O[C@]4(O[C@H](CO)[C@]([C@H](O)[C@H]4O)(O[C@]5(O[C@H](CO)[C@]([C@H](O)[C@H]5O)(O[C@]6(O[C@H](CO)[C@]([C@H](O)[C@H]6O)(O[C@]7(O[C@H](CO)[C@@](O[C@]8(O[C@H](CO)[C@@](O[C@]9(O[C@H](CO)[C@@](O[C@]%10(O[C@H](CO)[C@@](O[C@@](O2)([C@H](O)[C@H]3O)[H])([C@H](O)[C@H]%10O)[H])[H])([C@H](O)[C@H]9O)[H])[H])([C@H](O)[C@H]8O)[H])[H])([C@H](O)[C@H]7O)[H])[H])[H])[H])[H])[H])[H])[H])[H]

Canonical SMILES

O=S(=O)(OCC1OC2OC3C(O)C(O)C(OC3CO)OC4C(O)C(O)C(OC4CO)OC5C(O)C(O)C(OC5CO)OC6C(O)C(O)C(OC6CO)OC7C(O)C(O)C(OC7CO)OC8C(O)C(O)C(OC8CO)OC9C(O)C(O)C(OC9CO)OC1C(O)C2O)C%10=CC=C(C=C%10)C

Other Names for this Substance

  • γ-Cyclodextrin, 6A-(4-methylbenzenesulfonate)
  • 2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-Hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane, γ-cyclodextrin deriv.
  • γ-Cyclodextrin 6-monotosylate
  • Mono-6-O-tosyl-γ-cyclodextrin
  • 6-O-Tosyl-γ-cyclodextrin

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Deleted or Replaced CAS Registry Numbers

500313-14-4, 1333143-77-3, 2216773-85-0

CAS INSIGHTSTM
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