Jw. Krajewski et al., CRYSTAL-STRUCTURES AND MOLECULAR-STRUCTURES OF UTILIN-B AND UTILIN-C TETRANORTRITERPENOIDS FROM BARK OF ENTANDROPHRAGMA-UTILE, Polish Journal of Chemistry, 68(12), 1994, pp. 2641-2649
The structures of utilin B and C (chemical formula: C38H50O14 and C33H
42O12) have been investigated in the solid state by X-ray diffraction
methods. Utilin B crystallises in monoclinic system, space group P2(1)
, with cell constants alpha = 9.868(3), b = 11.382(3), c = 16.816(3) A
ngstrom, beta = 94.97(2)degrees. Utilin C crystallises in orthorhombic
system, space group P2(1)2(1)2(1), with cell constants alpha = 10.942
(1), b = 12.803(1), c = 23.443(2) Angstrom. Both crystal structures we
re solved by direct methods and refined by the full-matrix least-squar
es method giving R = 0.059 (wR = 0.042) for Utilin B and R = 0.039 (wR
= 0.037) for Utilin C. The molecular structures of both compounds as
postulated from earlier spectral investigations, particularly with res
pect to the positions of ester substituents, were fully confirmed.