| Identification | |
| Name: | 12'-hydroxy-2',5'α-diisopropylergotaman-3',6',18-trione phosphate (1:1) |
| Synonyms: | 12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione phosphate (1:1);(5'alpha)-2',5'-bis(1-methylethyl)-3',6',18-trioxo-12'-(phosphonooxy)ergotaman |
| CAS: | 55852-83-0 |
| EINECS: | 259-861-8 |
| Molecular Formula: | C31H39N5O9P |
| Molecular Weight: | 656.6449 |
| InChI: | InChI=1/C31H39N5O5.H3O4P/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19;1-5(2,3)4/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37);(H3,1,2,3,4)/p-3/t19-,23-,24+,26+,30-,31+;/m1./s1 |
| Molecular Structure: |  |
| Properties | |
| Flash Point: | 565.3°C |
| Boiling Point: | 1011.1°C at 760 mmHg |
| Flash Point: | 565.3°C |
| Safety Data | |
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