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Merck
CN
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文件

51707

Sigma-Aldrich

七(2,3,6-三-O-甲基)-β-环糊精

≥98.0%

别名:

2,3,6-三-O-甲基-β-环糊精, 三甲基-β-环式糊精

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About This Item

经验公式（希尔记法）:
C63H112O35
CAS号:
55216-11-0
分子量:
1429.54
Beilstein:
78748
MDL编号:
MFCD00010728
UNSPSC代码:
12352005
PubChem化学物质编号:
329757734
NACRES:
NA.22

质量水平

100

检测方案

≥98.0% (TLC)
≥98.0%

形式

powder or crystals

旋光性

[α]25/D +157±4°, c = 1% in H2O

mp

170-178 °C (lit.)

溶解性

H2O: 50 mg/mL, slightly turbid, colorless

储存温度

2-8°C

SMILES字符串

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

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

InChI key

DSDAICPXUXPBCC-MWDJDSKUSA-N

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一般描述

Heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin is a β-cyclodextrin derivative that finds potential use in pharmaceutical, food and cosmetic applications. Its attractive features include: the non-polar cavity desirable for its use as a molecular host for a wide range of molecules and its affinity for organic compounds in solution as well as crystalline phases.

应用

Heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin may be used:
  • To investigate the crystal structure of its complexes with m-iodophenol, 4-biphenylacetic acid and (R)- and (S)-flurbiprofen by X-ray analysis.
  • To study the candidature of its complex with vitamin A for potential application as a drug delivery system for ophthalmic applications by high sensitivity fluorescence spectrometry and high pressure liquid chromatography (HPLC).
  • In the determination of analyte composition in commercial samples by HPLC coupled to mass spectrometry (MS).

用于对映体拆分的液相色谱的手性添加剂。通过毛细管电泳对碱性药物的手性分离。

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

Eyeshields, Gloves, type N95 (US)

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分析证书(COA)

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Juziro Nishijo et al.
Chemical & pharmaceutical bulletin, 52(12), 1405-1410 (2004-12-04)
The interaction of cholesterol with heptakis (2,3,6-tri-O-methyl)-beta-cyclodextrin (TOM-beta-CyD) was investigated in water using solubility method. It was found that TOM-beta-CyD forms two kinds of soluble complexes, with molar ratios of 1:1 and 1:2 (cholesterol:TOM-beta-CyD). The thermodynamic parameters for 1:1 and
A Jaus et al.
Journal of chromatography. A, 905(1-2), 59-67 (2001-02-24)
The composition of 10 batches of heptakis(2,3,6-tri-O-methyl)-beta-cyclodextrin (PM-CD) from different suppliers was determined by high-performance liquid chromatography combined with atmospheric pressure chemical ionisation mass spectrometry (MS). Considerable differences were found. Some batches consisted of more than 95% pure PM-CD, whereas
Characterization of Crystalline Complexes between Heptakis (2, 3, 6-tri-O-methyl)-beta-cyclodextrin and Various Alkanes or Alkenes (5? C? 10)?
Cardinael P, et al.
Journal of Inclusion Phenomena and Macrocyclic Chemistry, 39(1-2), 159-167 (2001)
Frantzeska Tsorteki et al.
Carbohydrate research, 339(2), 233-240 (2003-12-31)
The crystal structures of the complexes of heptakis(2,3,6-tri-O-methyl)-beta-cyclodextrin with indole-3-butyric acid and with 2,4-dichlorophenoxyacetic acid were studied by X-ray diffraction. The complexes crystallize in the monoclinic P2(1) space group. The host molecules are elliptically puckered and stacked along the a
Bin Wang et al.
Electrophoresis, 30(16), 2820-2828 (2009-08-20)
A competitive inhibition mechanism is proposed to investigate the interactions among 2,3,6-tri-O-methyl-beta-CD (TM-beta-CD), cationic ionic liquid type surfactants, N-undecenoxy-carbonyl-L-leucinol bromide (L-UCLB) and profens using affinity CE. The apparent binding constant of TM-beta-CD to L-UCLB was estimated by nonlinear and linear
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