Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Tri-O-methyl-beta-cyclodextrin
RN: 55216-11-0
UNII: 317745Y683
InChIKey: DSDAICPXUXPBCC-MWDJDSKUSA-N

Molecular Formula

  • C63-H112-O35

Molecular Weight

  • 1429.54
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Tri-O-methyl-beta-cyclodextrin

Synonyms

  • Heptakis (2,3,6-tri-O-methyl)beta cyclodexatrin
  • TOMBC
  • UNII-317745Y683

Systematic Name

  • beta-Cyclodextrin, tri-O-methyl-

Registry Numbers

CAS Registry Number

  • 55216-11-0

FDA UNII

  • 317745Y683

System Generated Number

  • 0055216110

Structure Descriptors

InChI

1S/C63H112O35/c1-64-22-29-36-43(71-8)50(78-15)57(85-29)93-37-30(23-65-2)87-59(52(80-17)44(37)72-9)95-39-32(25-67-4)89-61(54(82-19)46(39)74-11)97-41-34(27-69-6)91-63(56(84-21)48(41)76-13)98-42-35(28-70-7)90-62(55(83-20)49(42)77-14)96-40-33(26-68-5)88-60(53(81-18)47(40)75-12)94-38-31(24-66-3)86-58(92-36)51(79-16)45(38)73-10/h29-63H,22-28H2,1-21H3/t29-,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-,57-,58-,59-,60-,61-,62-,63-/m1/s1

InChIKey

DSDAICPXUXPBCC-MWDJDSKUSA-N

Smiles

O1[C@@H]([C@H]2O[C@H]3O[C@@H]([C@H]([C@@H](OC)[C@H]3OC)O[C@H]3O[C@H](COC)[C@@H](O[C@H]4O[C@@H]([C@H]([C@@H](OC)[C@H]4OC)O[C@H]4O[C@@H]([C@H]([C@@H]([C@H]4OC)OC)O[C@@H]4[C@H](OC)[C@@H](OC)[C@@H]([C@H](COC)O4)O[C@@H]4[C@H](OC)[C@@H](OC)[C@@H]([C@H](COC)O4)O[C@@H]1[C@@H]([C@H]2OC)OC)COC)COC)[C@@H](OC)[C@H]3OC)COC)COC