Β-Cyclodextrin

• CAS: 7585-39-9
• Catalog Number: ACM7585399
• Category: Inhibitors
• Molecular Weight: 1134.98
• Molecular Formula: C42H70O35
• Description: DryPowder, Liquid; Liquid;Virtually odourless white or almost white crystalline solid
• IUPAC Name: (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-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-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
• 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(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)O
• InChI: 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
• InChI Key: WHGYBXFWUBPSRW-FOUAGVGXSA-N
• Solubility: Sparingly soluble in water; freely soluble in hot water; slightly soluble in ethanol
• Appearance: Solid
• Storage: Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
• Complexity: 1480
• Covalently-Bonded Unit Count: 1
• EC Number: 231-493-2;231-493-2
• Exact Mass: 1134.369764g/mol
• Formal Charge: 0
• H-Bond Acceptor: 35
• H-Bond Donor: 21
• Heavy Atom Count: 77
• Monoisotopic Mass: 1134.369764g/mol
• Rotatable Bond Count: 7
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Source: Bacillus
• UNII: JV039JZZ3A
• XLogP3: -15

Synthetic Use

Upstream Synthesis Route 1

• 1178862-93-5

• 21967-41-9
• 7585-39-9

Reference: [1] Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2009, vol. 73, # 4, p. 752 - 756

Upstream Synthesis Route 2

• 98169-85-8

• 29390-67-8
• 7585-39-9

Reference: [1]Tetrahedron Letters,1993,vol. 34,p. 2457 - 2460

Downstream Synthesis Route 1

• 7585-39-9

• 1109-28-0
• 50-99-7
• 34612-38-9
• 34620-76-3
• 34620-77-4
• 69-79-4

Reference: [1] Carbohydrate Research, 2012, vol. 360, p. 93 - 101,9
[2] Carbohydrate Research, 2012, vol. 360, p. 93 - 101

Downstream Synthesis Route 2

• 91-64-5
• 7585-39-9

• 495-78-3
• 1481-92-1
• 14864-24-5

Reference: [1]Analytical Chemistry,1989,vol. 61,p. 905 - 909

Downstream Synthesis Route 3

• 2232-08-8
• 7585-39-9

• 84216-71-7

Reference: [1]Tetrahedron,1994,vol. 50,p. 12979 - 12988

* For details of the synthesis route, please refer to the original source to ensure accuracy.