Di-O-methyl-β-cyclodextrin

CAS Registry Number®

51166-71-3
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CAS Name

Di-O-methyl-β-cyclodextrin

Molecular Formula

C56H98O35

Molecular Mass

1331.36

Cite this Page

Di-O-methyl-β-cyclodextrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=51166-71-3 (retrieved 2024-04-28) (CAS RN: 51166-71-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    299-305 °C (decomp)

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C56H98O35/c1-64-15-22-36-29(57)43(71-8)50(78-22)86-37-23(16-65-2)80-52(45(73-10)30(37)58)88-39-25(18-67-4)82-54(47(75-12)32(39)60)90-41-27(20-69-6)84-56(49(77-14)34(41)62)91-42-28(21-70-7)83-55(48(76-13)35(42)63)89-40-26(19-68-5)81-53(46(74-11)33(40)61)87-38-24(17-66-3)79-51(85-36)44(72-9)31(38)59/h22-63H,15-21H2,1-14H3/t22-,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-,56-/m1/s1

InChIKey

InChIKey=QGKBSGBYSPTPKJ-UZMKXNTCSA-N

SMILES

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

Canonical SMILES

OC1C(OC)C2OC(COC)C1OC3OC(COC)C(OC4OC(COC)C(OC5OC(COC)C(OC6OC(COC)C(OC7OC(COC)C(OC8OC(COC)C(O2)C(O)C8OC)C(O)C7OC)C(O)C6OC)C(O)C5OC)C(O)C4OC)C(O)C3OC

Other Names for this Substance

  • β-Cyclodextrin, 2A,2B,2C,2D,2E,2F,2G,6A,6B,6C,6D,6E,6F,6G-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.
  • 2A,2B,2C,2D,2E,2F,2G,6A,6B,6C,6D,6E,6F,6G-Tetradeca-O-methyl-β-cyclodextrin
  • Tetradecakis-2,6-O-methylcycloheptaamylose
  • Dimethyl-β-cyclodextrin

View All

Deleted or Replaced CAS Registry Numbers

95176-10-6, 97568-70-2, 99237-56-6, 103346-40-3, 106236-73-1, 107031-56-1, 120837-54-9, 84346-59-8, 689737-35-7, 703402-91-9, 739356-69-5, 807306-83-8, 832074-89-2, 845713-20-4, 1093408-51-5, 1155664-69-9

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