Ergotaminine

CAS Registry Number: 639-81-6

Taxonomy: Physicochemical and Pharmacological Properties of Alkaloids – Miscellaneous Alkaloids

Biological sources: Claviceps purpurea

C₃₃H₃₅N₅O₅: 581.2638

Mp: 231–233°C (dec., MeOH) [1], 243°C (dec.) [2]

[α]_D +364° (CHCl₃) [1]

Solubility: very sol. Py, AcOH; insol. Et₂O, EtOH, C₆H₆ [1]

UV: 241, 309(4.28, 3.93) [2]

IR: 1734, 1685, 1640, 1611, 1540, 1346, 1324, 1292, 1273, 1260, 1249, 1210, 1184, 1169, 1156, 1140, 1083, 1072, 1053, 1034, 1013, 942, 918, 908, 878, 870, 842, 820, 811, 778, 755, 705 [1, 2]

IR(LiF): 3290 [1, 2]

¹³ C NMR: [3]

Table 1

C-2	119.7	C-13	122.4	C-10′	25.9
3	109.0	14	110.3	11′	63.9
4	26.9	15	133.8	12′	102.9
5	61.7	16	175.3	13′	23.8
7	53.0	2′	85.7	1″	38.7
8	41.8	3′	165.9	2″	138.9
9	118.1	5′	56.1	3″, 7″	129.9
10	137.1	6′	164.5	4″, 6″	127.9
11	127.9	8′	45.7	5″	126.1
12	111.4	9′	21.8	NCH3	42.5

HPLC: [4]