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1,3-DIBROMO-2,2-DI-[6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE-1-YL-METHYL]-PROPANE
SpectraBase Compound ID 5F8WymQkvLo
InChI InChI=1S/C45H62Br2N8O2/c1-7-52(8-2)43(56)48-31-19-35-33-13-11-15-37-41(33)29(17-39(35)50(5)23-31)21-54(37)27-45(25-46,26-47)28-55-22-30-18-40-36(34-14-12-16-38(55)42(30)34)20-32(24-51(40)6)49-44(57)53(9-3)10-4/h11-16,21-22,31-32,35-36,39-40H,7-10,17-20,23-28H2,1-6H3,(H,48,56)(H,49,57)/t31-,32-,35+,36+,39+,40+/m0/s1
InChIKey JAFTZCSIYIBOHL-OYLPTLDHSA-N
Mol Weight 906.9 g/mol
Molecular Formula C45H62Br2N8O2
Exact Mass 904.336249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Kg8xt7s2R5
Name 1,3-DIBROMO-2,2-DI-[6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE-1-YL-METHYL]-PROPANE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H62Br2N8O2
InChI InChI=1S/C45H62Br2N8O2/c1-7-52(8-2)43(56)48-31-19-35-33-13-11-15-37-41(33)29(17-39(35)50(5)23-31)21-54(37)27-45(25-46,26-47)28-55-22-30-18-40-36(34-14-12-16-38(55)42(30)34)20-32(24-51(40)6)49-44(57)53(9-3)10-4/h11-16,21-22,31-32,35-36,39-40H,7-10,17-20,23-28H2,1-6H3,(H,48,56)(H,49,57)/t31-,32-,35+,36+,39+,40+/m0/s1
InChIKey JAFTZCSIYIBOHL-OYLPTLDHSA-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 906.848 g/mol
Solvent CDCl3
Source File Reference UWLU30927