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DI-(8,9-DIDEHYDRO-6,8-DIMETHYLERGOLINE-1-YL)-METHANE
SpectraBase Compound ID 9Y90KwlWGUp
InChI InChI=1S/C33H36N4/c1-20-11-26-24-7-5-9-28-32(24)22(13-30(26)34(3)15-20)17-36(28)19-37-18-23-14-31-27(12-21(2)16-35(31)4)25-8-6-10-29(37)33(23)25/h5-12,17-18,26-27,30-31H,13-16,19H2,1-4H3/t26-,27-,30-,31-/m1/s1
InChIKey RQKJAXZWMSMDKA-GERHYJQASA-N
Mol Weight 488.7 g/mol
Molecular Formula C33H36N4
Exact Mass 488.293997 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BCM0LD3fJno
Name DI-(8,9-DIDEHYDRO-6,8-DIMETHYLERGOLINE-1-YL)-METHANE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H36N4
InChI InChI=1S/C33H36N4/c1-20-11-26-24-7-5-9-28-32(24)22(13-30(26)34(3)15-20)17-36(28)19-37-18-23-14-31-27(12-21(2)16-35(31)4)25-8-6-10-29(37)33(23)25/h5-12,17-18,26-27,30-31H,13-16,19H2,1-4H3/t26-,27-,30-,31-/m1/s1
InChIKey RQKJAXZWMSMDKA-GERHYJQASA-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 488.676 g/mol
Solvent CDCl3
Source File Reference UWLU30918