| SpectraBase Spectrum ID |
YOssteYI4S |
| Name |
6-Methyl-8.beta.-cyclohexylcarbonylaminomethyl-13-tert-butyl-ergoline |
| Alternate Name(s) |
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)cyclohexanecarboxamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H39N3O |
| InChI |
InChI=1S/C27H39N3O/c1-27(2,3)20-12-22-21-10-17(14-29-26(31)18-8-6-5-7-9-18)16-30(4)24(21)11-19-15-28-23(13-20)25(19)22/h12-13,15,17-18,21,24,28H,5-11,14,16H2,1-4H3,(H,29,31)/t17-,21+,24+/m0/s1 |
| InChIKey |
NVWNBMPHTIPICJ-XVWGUNQUSA-N |
| Molecular Weight |
421.629 g/mol |
| SMILES |
N(C(=O)C1CCCCC1)C[C@@]1(C[C@]2([C@@](Cc3c4c(cc(cc24)C(C)(C)C)[nH]c3)(N(C1)C)[H])[H])[H] |
| SPLASH |
splash10-00di-0050900000-75b54f4265da8c433013 |
| Source of Spectrum |
EMC-32-801-16 |
| Wiley ID |
1734386 |
