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Substance Name: Dimethyl-alpha-cyclodextrin
RN: 51166-72-4
InChIKey: GTXJHJOCVPTNTP-MLJFYOOPSA-N

Molecular Formula

  • C48-H84-O30

Molecular Weight

  • 1141.16
 
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Names and Synonyms

Results Name

  • Dimethyl-alpha-cyclodextrin

Synonym

  • Dimethyl-alpha-cyclodextrin

Systematic Name

  • alpha-Cyclodextrin, 2A,2B,2C,2D,2E,2F,6A,6B,6C,6D,6E,6F-dodeca-O-methyl-

Registry Numbers

CAS Registry Number

  • 51166-72-4

System Generated Number

  • 0051166724

Structure Descriptors

InChI

1S/C48H84O30/c1-55-13-19-31-25(49)37(61-7)43(67-19)74-32-20(14-56-2)69-45(39(63-9)26(32)50)76-34-22(16-58-4)71-47(41(65-11)28(34)52)78-36-24(18-60-6)72-48(42(66-12)30(36)54)77-35-23(17-59-5)70-46(40(64-10)29(35)53)75-33-21(15-57-3)68-44(73-31)38(62-8)27(33)51/h19-54H,13-18H2,1-12H3/t19-,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-/m1/s1

InChIKey

GTXJHJOCVPTNTP-MLJFYOOPSA-N

Smiles

O1[C@H](COC)[C@H]2O[C@H]3O[C@@H]([C@H]([C@@H](O)[C@H]3OC)O[C@@H]3[C@H](OC)[C@@H](O)[C@@H]([C@H](O3)COC)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3OC)O)O[C@@H]3[C@H](OC)[C@@H](O)[C@@H]([C@H](COC)O3)O[C@@H]3[C@H](OC)[C@H]([C@@H]([C@H](O3)COC)O[C@@H]1[C@@H](OC)[C@H]2O)O)COC)COC