Structure of 1,2,3,4,5,6-hexa-O-acetyl-myo-inositol.
C18H24O12, Mr = 432.4, monoclinic, Cc, a = 8.996 (3), b = 20.890 (6), c = 11.872 (4) A, beta = 101.11 (2) degrees, V = 2189 (1) A3, Z = 4, Dx = 1.312 g cm-3, Mo K alpha, lambda = 0.71069 A, mu = 1.05 cm-1, F(000) = 912, T = 163 K, R = 0.041, wR = 0.0375 for 2158 reflections (Fo greater than or equal to 6 sigma magnitude of Fo). The ring is in the chair conformation 4C1 with five equatorial groups and one axial group bonded to C(2) as expected. The carbonyl bonds of the acetate groups at positions 2, 4, 5 and 6 are approximately coplanar with their respective ring C-H bonds. However, those at positions 1 and 3 are rotated towards the H(2) atom.
Abboud
K A
KA
Department of Chemistry, University of Texas, Austin 78712.
Simonsen
S H
SH
Voll
R J
RJ
Younathan
E S
ES
D007294:Inositol / Q000031:analogs & derivatives* / Q000737:chemistry; D015394:Molecular Structure; D014961:X-Ray Diffraction
C067741:1,2,3,4,5,6-hexa-O-acetyl-myo-inositol; D007294:Inositol