β-环糊精

InChI key

WHGYBXFWUBPSRW-FOUAGVGXSA-N

InChI

1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,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-,37-,38-,39-,40-,41-,42-/m1/s1

SMILES string

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

assay

≥98.0% (HPLC)

form

powder

optical activity

[α]/D 160 to 164°, [α]20/D +162±3°, c = 1.5% in H₂O

manufacturer/tradename

Wacker Chemie AG

impurities

≤0.2% reducing substances, ≤0.25% α- and γ-cyclodextrin (each), ≤0.5% related substances, ≤5 ppm heavy metals, ≤5 ppm residual solvents

ign. residue

≤0.10%

loss

≤14.0% loss on drying

pH

5.0-8.0 (1% in solution)

mp

290-300 °C (dec.) (lit.)

solubility

solution: 1%, clear

absorption

≤0.05 at 350-750 nm in solution at 1%, ≤0.1 at 230-350 nm in solution at 1%

suitability

corresponds for identity

functional group

ether, hydroxyl

Quality Level

100