Journal Title
Title of Journal: J Chem Crystallogr
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Abbravation: Journal of Chemical Crystallography
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Authors: Mariana MacíasAlonso Nuria EsturauEscofet Marcos FloresÁlamo Martín A IglesiasArteaga Rafael MorenoEsparza
Publish Date: 2011/06/08
Volume: 41, Issue: 10, Pages: 1476-
Abstract
The crystal structure together with unambiguous assignation of 1H and 13C NMR signals of 3epismilagenin acetate 4 and 23oxo3epismilagenin acetate 5 are described Compound 4 crystallized as orthorhombic system a = 105351 Å b = 13775 1 Å c = 18347 1 Å α = β = γ = 90° with space group P2 1 2 1 2 1 while compound 5 crystallized as a monoclinic system a = 103801 Å b = 73271 Å c = 178811 Å α = γ = 90° β = 99561° with a space group P2 1 The presence a carbonyl group at C23 in compound 5 produces a significant deviation from the chair conformation observed in compound 4 The effects of the side chain modifications on the puckering parameters derived from are discussedThe authors thank to the Dirección General de Asuntos del Personal Académico DGAPAUNAM for financial support via project IN2040083 and to CONACyT for scholarship granted to Mariana MacíasAlonso Thanks are due to Georgina Duarte Lisci USAIUNAM for registering Mass spectra
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