β-Cyclodextrin

CAS Registry Number®

7585-39-9
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CAS Name

β-Cyclodextrin

Molecular Formula

C42H70O35

Molecular Mass

1134.98

Cite this Page

β-Cyclodextrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7585-39-9 (retrieved 2024-04-27) (CAS RN: 7585-39-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    293-294 °C (decomp)

  • Density (2)

    0.4-0.7 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,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-/m1/s1

InChIKey

InChIKey=WHGYBXFWUBPSRW-DCPOFQRKSA-N

SMILES

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

Canonical SMILES

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)OC1C(O)C2O

Other Names for this Substance

  • β-Cyclodextrin
  • Cycloheptaamylose
  • 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.
  • Dextrin, β-cyclo
  • Cycloheptaglucosan

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Deleted or Replaced CAS Registry Numbers

37331-89-8, 47918-72-9, 449728-55-6, 896437-63-1, 1187028-35-8, 1269982-56-0, 1532526-96-7, 1714824-77-7, 2569195-37-3, 2592632-33-0

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