| SpectraBase Spectrum ID |
2AAiyfmeEiK |
| Name |
6-Methyl-8.beta.-methoxycarbonyl-13-tert-butyl-ergoline |
| Alternate Name(s) |
(6aR,9R,10aR)-methyl 2-(tert-butyl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxylate
Methyl (6aR,9R,10aR)-2-tert-butyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28N2O2 |
| InChI |
InChI=1S/C21H28N2O2/c1-21(2,3)14-8-16-15-6-13(20(24)25-5)11-23(4)18(15)7-12-10-22-17(9-14)19(12)16/h8-10,13,15,18,22H,6-7,11H2,1-5H3/t13-,15-,18-/m1/s1 |
| InChIKey |
JPTLCZTVIFJBKY-DDUZABMNSA-N |
| Molecular Weight |
340.467 g/mol |
| SMILES |
[nH]1cc2c3c1cc(cc3[C@@]1([C@@](C2)(N(C[C@@](C1)(C(=O)OC)[H])C)[H])[H])C(C)(C)C |
| SPLASH |
splash10-0006-0019000000-9c56f0f34a89eb4a276d |
| Source of Spectrum |
EMC-32-800-4 |
| Wiley ID |
1734308 |
