| Identification | |
| Name: | Ergotoxine, dihydro-, monoethanesulfonate (salt) |
| Synonyms: | Dihydroergotoxine ethansulfonate;ethanesulfonic acid - (2'beta,5xi,8xi,11'xi,12'beta)-5'-benzyl-12'-hydroxy-2'-(1-methylethyl)-3',6',18-trioxo-9,10-dihydroergotaman (1:1) |
| CAS: | 1401-12-3 |
| EINECS: | 215-752-7 |
| Molecular Formula: | C37H47N5O8S |
| Molecular Weight: | 721.8628 |
| InChI: | InChI=1/C35H41N5O5.C2H6O3S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-2-6(3,4)5/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);2H2,1H3,(H,3,4,5)/t23?,25?,27?,28?,29?,34-,35+;/m0./s1 |
| Molecular Structure: |  |
| Properties | |
| Flash Point: | 497.7°C |
| Boiling Point: | 899.3°C at 760 mmHg |
| Density: | g/cm3 |
| Flash Point: | 497.7°C |
| Safety Data | |
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