| SpectraBase Spectrum ID |
4OPmPQZwFGK |
| Name |
1,6-Dimethyl-8.beta.-benzoylaminomethyl-13-tert-butyl-ergoline |
| Alternate Name(s) |
N-(((6aR,9S,10aR)-2-(tert-butyl)-4,7-dimethyl-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 |
C28H35N3O |
| InChI |
InChI=1S/C28H35N3O/c1-28(2,3)21-13-23-22-11-18(15-29-27(32)19-9-7-6-8-10-19)16-30(4)24(22)12-20-17-31(5)25(14-21)26(20)23/h6-10,13-14,17-18,22,24H,11-12,15-16H2,1-5H3,(H,29,32)/t18-,22+,24+/m0/s1 |
| InChIKey |
BQRZJGCJGWPDRL-KUWBRRTOSA-N |
| Molecular Weight |
429.608 g/mol |
| SMILES |
N(C(=O)c1ccccc1)C[C@]1(CN([C@]2([C@](C1)(c1c3c(cc(c1)C(C)(C)C)[n](cc3C2)C)[H])[H])C)[H] |
| SPLASH |
splash10-004i-2330900000-79eaf85f58e34770140f |
| Source of Spectrum |
EMC-32-803-30 |
| Wiley ID |
1734372 |
