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  • β-Cyclodextrin - CAS 7585-39-9 - Calbiochem

  • β-Cyclodextrin - CAS 7585-39-9 - Calbiochem

    Catalog Number
    ACM7585399-1
    CAS Number
    7585-39-9
    Product Name
    β-Cyclodextrin - CAS 7585-39-9 - Calbiochem
    Structure
    Category
    Polysaccharide
    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
    Molecular Weight
    1135g/mol
    Molecular Formula
    (C6H10O5)7;C42H70O35
    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
    Complexity
    1480
    Covalently-Bonded Unit Count
    1
    EC Number
    231-493-2;231-493-2
    Exact Mass
    1134.369764g/mol
    Formal Charge
    0
    Heavy Atom Count
    77
    MeSH Entry Terms
    beta-cyclodextrin;betadex;cyclo-epta-amylose;Cycloheptaamylose;cyclomaltoheptaose
    Monoisotopic Mass
    1134.369764g/mol
    Rotatable Bond Count
    7
    UNII
    JV039JZZ3A
    XLogP3
    -15
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