W0 2011/000721 A1 I||||||||||||||||||||||||||||||||||||||||||||||||||||||||| - Questel

(bs, 4H, H 2M ), 3.89-3.80 (m, 12H H 3 M H 6M -B, H 6M B ), 3.80-3.53 (m, 38H, D 1 ,
H 6 MA, H 6 MA, H 3 M, H 4 M, H 4 M H 7 , H 5M , H 5 M', CH 2 N 3 ), 3.69 (s, 24H, COOCH 3 ), 3.41
(bs, 8H, H 8 ) , 3.46-3.38 (m, 8H, D 4 , D 5 ), 2.72-2.62 (m, 8H, CH 2 COO), 2.60-2.49
(m, 8H, CH 2 CONH), 2.24-2.06 (m, 8H, D 6eq , D 3eq ), 1.92-1.72 (m, 8H, D 6ax , D 3 ),
1.32 (s, 3H, CH 3 a'), 1.25 (s, 6H, CH 3 b'). 13 C-NMR ( 100 MHz, D 2 O) δ (ppm):
181 .9 (COO); 178.2, 177.9 (COOCH 3 ); 174.7, 174.66 (COOCH 2 b, CONH);
174.3 (COOCH 2 a); 100.5 (C1 M ); 99.2 (C1 M ); 75.1 (C1 D ); 7 1.5 (C2 D ); 74.0,
72.5, 7 1.2, 7 1. 1 (C3 M , C3M-, C 4 M , C4 M ); 7 1. 1 (C2 M ); 70.6 (C2 M ); 68.5 (C6 M );
67.5, 67.4 (C5 M , C5 ); 66.8 (C7, OCH 2 a , OCH 2 b), 66.5 (OCH 2 CH 2 N 3 ), 61.6
(C6 M ), 53.2 (CH 3 O); 50.0 (CH 2 N 3 ); 47.3, 47.0 (Cquat a", b"); 39.6 (C4 D , C5 D );
39.5 (C8); 30.6 (CH 2 CONH); 29.8 (CH 2 COO); 27.6, 27.3 (C6 D , C3 D ), 17.5
(CH 3 a', b').
MS (MALDI) Calculated for [Ci 29 H 20 i N 7 O 82 +Na] + = 3184.97, experimental =
3184.6.