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| Name | alpha-Ergocryptine |
|---|---|
| Synonyms | Ergokryptine; Ergotaman-3',6',18-Trione, 12'-Hydroxy-2'-(1-Methylethyl)-5'-(2-Methylpropyl)-, (5'.Alpha.)-; Nsc169479 |
| Molecular Structure |  |
| Molecular Formula | C32H41N5O5 |
| Molecular Weight | 575.71 |
| CAS Registry Number | 511-09-1 |
| EINECS | 208-121-2 |
| SMILES | C1=CC=C7C6=C1C5=CC(C(NC4(OC2(N(C(C(=O)N3C2CCC3)CC(C)C)C4=O)O)C(C)C)=O)CN(C)C5CC6=C[NH]7 |
| InChI | 1S/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) |
| InChIKey | YDOTUXAWKBPQJW-UHFFFAOYSA-N |
| Density | 1.381g/cm3 (Cal.) |
|---|---|
| Boiling point | 861.746°C at 760 mmHg (Cal.) |
| Flash point | 474.967°C (Cal.) |
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