| SpectraBase Spectrum ID |
3CHaIkk4oa |
| Name |
6-Methyl-8.beta.-(2-methyl-3-thiazoyl)aminomethyl-13-tert-butyl-ergoline |
| Alternate Name(s) |
N-(((6aR,9S)-2-(tert-butyl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methyl)-5-methylthiazole-4-carboxamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H32N4OS |
| InChI |
InChI=1S/C25H32N4OS/c1-14-23(28-13-31-14)24(30)27-10-15-6-18-19-8-17(25(2,3)4)9-20-22(19)16(11-26-20)7-21(18)29(5)12-15/h8-9,11,13,15,18,21,26H,6-7,10,12H2,1-5H3,(H,27,30)/t15-,18?,21+/m0/s1 |
| InChIKey |
HVRNZVTYHVZPLQ-LMONUYQQSA-N |
| Molecular Weight |
436.618 g/mol |
| SMILES |
N(C(c1ncsc1C)=O)C[C@@]1(CC2c3c4c(cc(c3)C(C)(C)C)[nH]cc4C[C@]2(N(C1)C)[H])[H] |
| SPLASH |
splash10-0550-8440900000-f5747c356716826031f1 |
| Source of Spectrum |
EMC-32-802-24 |
| Wiley ID |
1734378 |
