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(8α)-5'α-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione |
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| Chemical Name | (8α)-5'α-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione |
| Synonyms | Ergocristinine;Isoergocristine;(8alpha)-5'alpha-Benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione;Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha,8alpha)-;(5alpha,5'beta)-5'-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)ergotaman;(5'alpha,8alpha)-5'-benzyl-12'-hydroxy-2'-(1-methylethyl)-3',6',18-trioxoergotaman |
| Molecular Formula | C35H39N5O5 |
| Molecular Weight | 609.7147 |
| InChl | InChI=1/C35H39N5O5/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/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27+,28-,29-,34+,35-/m0/s1 |
| CAS Registry Number | 511-07-9 |
| EINECS | 208-119-1 |
| Molecular Structure |  |
| Density | 1.43g/cm3 |
| Boiling Point | 912.8°C at 760 mmHg |
| Refractive Index | 1.721 |
| Flash Point | 505.8°C |
| Vapour Pressur | 0mmHg at 25°C |
| MSDS | |
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