| SpectraBase Spectrum ID |
LGZPZRnxeKG |
| Name |
6-Methyl-2-bromo-8.beta.-benzoylaminomethyl-13-tert-butyl-ergoline |
| Alternate Name(s) |
N-(((6aR,9S,10aR)-5-bromo-2-(tert-butyl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methyl)benzamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H32BrN3O |
| InChI |
InChI=1S/C27H32BrN3O/c1-27(2,3)18-11-20-19-10-16(14-29-26(32)17-8-6-5-7-9-17)15-31(4)23(19)13-21-24(20)22(12-18)30-25(21)28/h5-9,11-12,16,19,23,30H,10,13-15H2,1-4H3,(H,29,32)/t16-,19+,23+/m0/s1 |
| InChIKey |
MTWRVJYKZVPKEU-XKDCRVNJSA-N |
| Molecular Weight |
494.477 g/mol |
| SMILES |
[nH]1c2c3c([C@@]4([C@](N(C[C@](CNC(=O)c5ccccc5)(C4)[H])C)(Cc3c1Br)[H])[H])cc(c2)C(C)(C)C |
| SPLASH |
splash10-0a4m-5511900000-a388b1e131b942dfe071 |
| Source of Spectrum |
EMC-32-803-28 |
| Wiley ID |
1734374 |
