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DI-[6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE-1-YL]-METHANE
SpectraBase Compound ID CdaV9XUJRn5
InChI InChI=1S/C41H56N8O2/c1-7-46(8-2)40(50)42-28-19-32-30-13-11-15-34-38(30)26(17-36(32)44(5)23-28)21-48(34)25-49-22-27-18-37-33(31-14-12-16-35(49)39(27)31)20-29(24-45(37)6)43-41(51)47(9-3)10-4/h11-16,21-22,28-29,32-33,36-37H,7-10,17-20,23-25H2,1-6H3,(H,42,50)(H,43,51)/t28-,29-,32+,33+,36+,37+/m0/s1
InChIKey QIJSFWXYOKCTTF-CZRCHTHFSA-N
Mol Weight 693.0 g/mol
Molecular Formula C41H56N8O2
Exact Mass 692.452623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2zJMVbbiYvD
Name DI-[6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE-1-YL]-METHANE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H56N8O2
InChI InChI=1S/C41H56N8O2/c1-7-46(8-2)40(50)42-28-19-32-30-13-11-15-34-38(30)26(17-36(32)44(5)23-28)21-48(34)25-49-22-27-18-37-33(31-14-12-16-35(49)39(27)31)20-29(24-45(37)6)43-41(51)47(9-3)10-4/h11-16,21-22,28-29,32-33,36-37H,7-10,17-20,23-25H2,1-6H3,(H,42,50)(H,43,51)/t28-,29-,32+,33+,36+,37+/m0/s1
InChIKey QIJSFWXYOKCTTF-CZRCHTHFSA-N
Literature Reference Author V.KREN,A.FISEROVA,L.WEIGNEROVA,I.STIBOR,P.HALADA,V.PRIKRYLOV A,P.SEDMERA,M.POSPIS
Literature Reference Citation BIOORG.MED.CHEM.,10,415(2002)
Literature Reference DOI 10.1016/S0968-0896(01)00291-7
Molecular Weight 692.948 g/mol
Solvent CDCl3
Source File Reference UWLU30921