Cas no 107041-31-6 (Ergostane-3,4,6,8,15,16-hexol,28-[[2-O-(2,4-di-O-methyl-b-D-xylopyranosyl)-a-L-arabinofuranosyl]oxy]-, (3b,4b,5a,6a,15b,16b,24x)- (9CI))

Ergostane-3,4,6,8,15,16-hexol,28-[[2-O-(2,4-di-O-methyl-b-D-xylopyranosyl)-a-L-arabinofuranosyl]oxy]-, (3b,4b,5a,6a,15b,16b,24x)- (9CI) structure
107041-31-6 structure
Product Name:Ergostane-3,4,6,8,15,16-hexol,28-[[2-O-(2,4-di-O-methyl-b-D-xylopyranosyl)-a-L-arabinofuranosyl]oxy]-, (3b,4b,5a,6a,15b,16b,24x)- (9CI)
CAS No:107041-31-6
MF:C40H70O15
MW:790.974814891815
CID:172658
Update Time:2024-02-29

Ergostane-3,4,6,8,15,16-hexol,28-[[2-O-(2,4-di-O-methyl-b-D-xylopyranosyl)-a-L-arabinofuranosyl]oxy]-, (3b,4b,5a,6a,15b,16b,24x)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Ergostane-3,4,6,8,15,16-hexol,28-[[2-O-(2,4-di-O-methyl-b-D-xylopyranosyl)-a-L-arabinofuranosyl]oxy]-, (3b,4b,5a,6a,15b,16b,24x)- (9CI)
    • CulcitosideC2
    • (24ξ)-28-[[2-O-(2-O,4-O-Dimethyl-β-D-xylopyranosyl)-α-L-arabinofuranosyl]oxy]-5α-ergostane-3β,4β,6α,8,15β,16β-hexaol
    • Ergostane-3,4,6,8,15,16-hexol,28-[[2-O-(2,4-di-O-methyl-b-D-xylopyranosyl)-a-L-arabinofuranosyl]oxy]-, (3b,4b,5a,6a,15b,16b,2
    • Culcitoside C2
    • Inchi： 1S/C40H70O15/c1-18(2)20(16-52-37-34(29(45)23(15-41)54-37)55-36-33(51-7)30(46)24(50-6)17-53-36)9-8-19(3)26-31(47)32(48)35-39(26,5)13-11-25-38(4)12-10-21(42)28(44)27(38)22(43)14-40(25,35)49/h18-37,41-49H,8-17H2,1-7H3/t19-,20?,21+,22+,23+,24-,25-,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36+,37-,38-,39-,40+/m1/s1
    • InChI Key： DSRYECYEUCKTQR-YXGMZETFSA-N
    • SMILES： O([H])[C@@]12C([H])([H])[C@@]([H])([C@@]3([H])[C@]([H])([C@]([H])(C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]1(C([H])([H])[H])[C@@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])(C([H])([H])O[C@@]3([H])[C@@]([H])([C@]([H])([C@]([H])(C([H])([H])O[H])O3)O[H])O[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])(C([H])([H])O3)OC([H])([H])[H])O[H])OC([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])([C@]([H])([C@@]21[H])O[H])O[H])O[H])O[H])O[H]

Computed Properties

  • Exact Mass: 272.08309
  • Monoisotopic Mass: 790.471
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 55
  • Rotatable Bond Count: 13
  • Complexity: 1280
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 21
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 237A^2

Experimental Properties

  • PSA: 52.54

Ergostane-3,4,6,8,15,16-hexol,28-[[2-O-(2,4-di-O-methyl-b-D-xylopyranosyl)-a-L-arabinofuranosyl]oxy]-, (3b,4b,5a,6a,15b,16b,24x)- (9CI) Related Literature

Related Categories

107041-31-6 (Ergostane-3,4,6,8,15,16-hexol,28-[[2-O-(2,4-di-O-methyl-b-D-xylopyranosyl)-a-L-arabinofuranosyl]oxy]-, (3b,4b,5a,6a,15b,16b,24x)- (9CI)) Related Products

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