| product Name |
(8α)-12'-hydroxy-5'α-isobutyl-2'-isopropylergotaman-3',6',18-trione |
| Synonyms |
Ergocryptinine; Isoergokryptine; (8alpha)-12'-Hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione; Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha,8alpha)-; (5alpha,5'beta)-12'-hydroxy-5'-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman |
| Molecular Formula |
C32H41N5O5 |
| Molecular Weight |
575.6984 |
| InChI |
InChI=1/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24+,25-,26+,31-,32+/m1/s1 |
| CAS Registry Number |
511-10-4 |
| EINECS |
208-122-8 |
| Molecular Structure |
|
| Density |
1.38g/cm3 |
| Boiling point |
861.7°C at 760 mmHg |
| Refractive index |
1.68 |
| Flash point |
475°C |
| Vapour Pressur |
1.16E-31mmHg at 25°C |
| Hazard Symbols |
|
| Risk Codes |
|
| Safety Description |
|
|