α-Cyclodextrin

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Systematic / IUPAC Name: (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-Hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2~3,6~ 2~8,11~ 2~13,16~ 2~18,21~ 2~23,26~]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol

ID: Reference3130

Other Names: α-Schardinger dextrin;
(c6,4-1)Glc-(4-1)glc-(4-1)glc-(4-1)glc-(4-1)glc-(4-1)glc;
ACX;
Alfadex;
Cyclohexaamylose ; more

Formula: C36H60O30

Class: Excipients/Additives/Colorants Endogenous Metabolites

Spectral Data

α-Cyclodextrin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 380
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/19/2015 1:22:15 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,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-/m1/s1
InChI Key HFHDHCJBZVLPGP-RWMJIURBSA-N
Canonical SMILES C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(O2)C(C7O)O)CO)CO)CO)CO)CO)O)O)O
CAS 10016203
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Other Names α-Schardinger dextrin;
(c6,4-1)Glc-(4-1)glc-(4-1)glc-(4-1)glc-(4-1)glc-(4-1)glc;
ACX;
Alfadex;
Cyclohexaamylose;
Cyclomaltohexaose;
Cyclomaltohexose;
Cyclohexapentylose;
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-Hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2~3,6~ 2~8,11~ 2~13,16~ 2~18,21~ 2~23,26~]dotetracontane-31,32,33,34,35,36,37,38,39,40

In Other Databases

ChemIDPlus 088852124; 010886614; 108866144; 106200286; 055648209
PubChem 444913
ChEBI CHEBI:40585
Wikipedia Cyclodextrin; alpha-Cyclodextrin
ChemSpider 392705
KEGG D08846