CAS 51166-71-3 Heptakis(2,6-di-O-methyl)-β-cyclodextrin

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Heptakis(2,6-di-O-methyl)-β-cyclodextrin

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Catalog Number

ACM51166713-1

Product Name

Heptakis(2,6-di-O-methyl)-β-cyclodextrin

Structure

CAS

51166-71-3

Category

Polysaccharide

IUPAC Name

(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-37,39,41,43,45,47,49-heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-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-36,38,40,42,44,46,48-heptol

Molecular Weight

1331.4g/mol

Molecular Formula

C56H98O35

Canonical SMILES

COCC1C2C(C(C(O1)OC3C(OC(C(C3O)OC)OC4C(OC(C(C4O)OC)OC5C(OC(C(C5O)OC)OC6C(OC(C(C6O)OC)OC7C(OC(C(C7O)OC)OC8C(OC(O2)C(C8O)OC)COC)COC)COC)COC)COC)COC)OC)O

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

InChI Key

QGKBSGBYSPTPKJ-UZMKXNTCSA-N

Complexity

1690

Covalently-Bonded Unit Count

Exact Mass

1330.588865g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms

2,6-beta-O-dimethylcyclodextrin;2,6-di-O-methyl-beta-cyclodextrin;dimethyl-beta-cyclodextrin;DM-beta-CD;DM-beta-CyD;DMbeta-Cyd;heptakis(2,6-di-O-methyl)-beta-cyclodextrin;heptakis(2,6-O-dimethyl)beta-cyclodextrin;HKDBC;MEDCD cpd

Monoisotopic Mass

1330.588865g/mol

Rotatable Bond Count

UNII

5FJP73E35O

XLogP3

-7.5

MSDS

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COA

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Spec Sheet