| Identification | |
| Name: | 5alpha-Benzyl-12-hydroxy-2-isopropylergotaman-3,6,18-trione methanesulphonate |
| Synonyms: | 5'alpha-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione methanesulphonate |
| CAS: | 57884-92-1 |
| EINECS: | 261-004-8 |
| Molecular Formula: | C36H41N5O7S |
| Molecular Weight: | 687.80504 |
| InChI: | InChI=1/C36H41N5O7S/c1-21(2)35(38-32(42)24-17-26-25-12-8-13-27-31(25)23(19-37-27)18-28(26)39(3)20-24)34(44)41-29(16-22-10-6-5-7-11-22)33(43)40-15-9-14-30(40)36(41,47-35)48-49(4,45)46/h5-8,10-13,17,19,21,24,28-30,37H,9,14-16,18,20H2,1-4H3,(H,38,42)/t24-,28-,29+,30+,35-,36-/m1/s1 |
| Molecular Structure: |  |
| Properties | |
| Flash Point: | 505.8°C |
| Boiling Point: | 912.8°Cat760mmHg |
| Density: | g/cm3 |
| Refractive index: | 1.703 |
| Flash Point: | 505.8°C |
| Safety Data | |
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