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(5R,8S,10R)-6-METHYL-8-ACETAMIDOERGOLINE
SpectraBase Compound ID 4VeziHwVoNb
InChI InChI=1S/C17H21N3O/c1-10(21)19-12-7-14-13-4-3-5-15-17(13)11(8-18-15)6-16(14)20(2)9-12/h3-5,8,12,14,16,18H,6-7,9H2,1-2H3,(H,19,21)/t12-,14+,16+/m1/s1
InChIKey ILEDWCSMPABQRJ-INWMFGNUSA-N
Mol Weight 283.37 g/mol
Molecular Formula C17H21N3O
Exact Mass 283.168462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fq1rDVTsUOs
Name (5R,8S,10R)-6-METHYL-8-ACETAMIDOERGOLINE
Comments 4>
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Formula C17H21N3O
InChI InChI=1S/C17H21N3O/c1-10(21)19-12-7-14-13-4-3-5-15-17(13)11(8-18-15)6-16(14)20(2)9-12/h3-5,8,12,14,16,18H,6-7,9H2,1-2H3,(H,19,21)/t12-,14+,16+/m1/s1
InChIKey ILEDWCSMPABQRJ-INWMFGNUSA-N
Instrument Name Jeol FX-60
Literature Reference A.CERNY, J.BENES, J.VACHEK, M.PESAK, J.STUCHLIK, M.STUCHLIK, P.SEDMERA,M.FLIEGER, J.VOKOUN (1987) Coll.Czech.Chem.Comm.: v.52, N5, 1331-1339.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo