8,9-didehydro-6,8-dimethylergoline
Compound with spectra: 5 NMR, 1 FTIR, and 1 MS (GC)
| SpectraBase Compound ID | JvPdYDV67vA |
|---|---|
| InChI | InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3/t13-,15-/m1/s1 |
| InChIKey | XJOOMMHNYOJWCZ-UKRRQHHQSA-N |
| Mol Weight | 238.33 g/mol |
| Molecular Formula | C16H18N2 |
| Exact Mass | 238.146999 g/mol |
| Enantiomer InChIKey | XJOOMMHNYOJWCZ-ZFWWWQNUSA-N |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | Pyridine-d5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | PYRIDINE-D5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Technique | KBr WAFER |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | KO-9-164-1a |
- AGROCLAVINE
- Ergoline, 8,9-didehydro-6,8-dimethyl-
ELMOCLAVINE
Carbamic acid, methyl[1,3,4,5-tetrahydro-5-(2-methyl-1-propenyl)benz[cd]indol-4-yl]- , 1,1-dimethylethyl ester, trans-(.+-.)-
Ergoline, 6,8-dimethyl-, (5.alpha.,8.alpha.)-(.+-.)-
Ergoline, 6,8-dimethyl-, (5.alpha.,8.beta.)-(.+-.)-
A-Dihydro-lysergol
9,10-Dihydrolysergol
Dihydroergotamine - GC Artefact 05
7-Methyl-8-oxo-6,6a,7,8,9,9a-hexahydro-4H-indolo[4,3-e]indole
7-Methyl-8-thioxo-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-f,g]quinazoline
6-Ethylergoline-8-methanol 6-ethyldihydrolysergol]
| Title | Journal or Book | Year |
|---|---|---|
| The observed and calculated 1H and 13C chemical shifts of tertiary amines and their N-oxides | Magnetic Resonance in Chemistry | 2011 |
| Clustered ergot alkaloids modulate cell-mediated cytotoxicity | Bioorganic & Medicinal Chemistry | 2002 |
| Carbon-13 nuclear magnetic resonance spectroscopy of naturally occurring substances. XXI. Nuclear magnetic resonance spectral analysis of the ergot alkaloids | The Journal of Organic Chemistry | 1974 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
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