| SpectraBase Compound ID | B2R3aR9WYli |
|---|---|
| InChI | InChI=1S/C26H31BrN4O/c1-26(2,3)18-8-21-20-5-15(10-30-25(32)17-6-19(27)13-28-11-17)14-31(4)23(20)7-16-12-29-22(9-18)24(16)21/h6,8-9,11-13,15,20,23,29H,5,7,10,14H2,1-4H3,(H,30,32)/t15-,20+,23+/m0/s1 |
| InChIKey | XOJPSABQGLYGIG-UYGSHGSRSA-N |
| Mol Weight | 495.47 g/mol |
| Molecular Formula | C26H31BrN4O |
| Exact Mass | 494.168125 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EsY7I3pAgj6 |
|---|---|
| Name | 6-Methyl-8.beta.-(5-bromonicotinoyl)aminomethyl-13-tert-butyl-ergoline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H31BrN4O |
| InChI | InChI=1S/C26H31BrN4O/c1-26(2,3)18-8-21-20-5-15(10-30-25(32)17-6-19(27)13-28-11-17)14-31(4)23(20)7-16-12-29-22(9-18)24(16)21/h6,8-9,11-13,15,20,23,29H,5,7,10,14H2,1-4H3,(H,30,32)/t15-,20+,23+/m0/s1 |
| InChIKey | XOJPSABQGLYGIG-UYGSHGSRSA-N |
| Molecular Weight | 495.465 g/mol |
| SMILES | N(C(c1cc(Br)cnc1)=O)C[C@@]1(C[C@]2([C@@](Cc3c4c(cc(cc24)C(C)(C)C)[nH]c3)(N(C1)C)[H])[H])[H] |
| SPLASH | splash10-0005-0150900000-e4d97348b44375e737c4 |
| Source of Spectrum | EMC-32-802-21 |
| Synonyms | 5-Bromo-N-(((6aR,9S,10aR)-2-(tert-butyl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methyl)nicotinamide N-[[(6aR,9S,10aR)-2-tert-butyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]methyl]-5-bromo-3-pyridinecarboxamide N-[[(6aR,9S,10aR)-2-tert-butyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]methyl]-5-bromopyridine-3-carboxamide N-[[(6aR,9S,10aR)-2-tert-butyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]methyl]-5-bromo-pyridine-3-carboxamide N-[[(6aR,9S,10aR)-2-tert-butyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]methyl]-5-bromanyl-pyridine-3-carboxamide |
| Wiley ID | 1734381 |