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Tuesday 8 April 2014

Ulipristal acetate NMR

Ulipristal acetate skeletal.svg
Ulipristal acetate
(8S,11S,13S,14R,17R)-17-Acetoxy-11-[4-(dimethylamino)phenyl]-19-norpregna-4,9-diene-3,20-dione
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m.p. 183-185
IR
1735 and 1714(--C═O), 1664 and 1661 (conjugated --C═O), 1563, 1518, 1441, 1351, 1305, 1252, 1203, 1171;

NMR (CDCl.sub.3)
δ0.38 (s, 18-CH.sub.3),
2.10 (s, 17-OAc),
2.14 (s, 21-CH.sub.3),
2.92 (s, --N(CH.sub.3).sub.2,
4.44 (d, C-11 H),
5.83 (br. s, C-4 H),
6.71 and 7.07 (d, aromatic H);

MS(EI) m/z (relative intensity) 475(M.sup.+, 41), 134(18), 121 (100).

Analysis calculated for C.sub.30 H.sub.37 NO.sub.4 : C, 75.76; H, 7.84; N, 2.94. Found. C, 75.80; H 7.96; N, 3.09.
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