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1,6-DI-[6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE-1-YL]-HEXANE
SpectraBase Compound ID 5bgjrludn63
InChI InChI=1S/C46H66N8O2/c1-7-51(8-2)45(55)47-33-25-37-35-17-15-19-39-43(35)31(23-41(37)49(5)29-33)27-53(39)21-13-11-12-14-22-54-28-32-24-42-38(36-18-16-20-40(54)44(32)36)26-34(30-50(42)6)48-46(56)52(9-3)10-4/h15-20,27-28,33-34,37-38,41-42H,7-14,21-26,29-30H2,1-6H3,(H,47,55)(H,48,56)/t33?,34?,37-,38-,41-,42-/m1/s1
InChIKey XCGKGYMMYIYABI-LHWARLJBSA-N
Mol Weight 763.1 g/mol
Molecular Formula C46H66N8O2
Exact Mass 762.530873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7xOmpATDmo8
Name 1,6-DI-[6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE-1-YL]-HEXANE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H66N8O2
InChI InChI=1S/C46H66N8O2/c1-7-51(8-2)45(55)47-33-25-37-35-17-15-19-39-43(35)31(23-41(37)49(5)29-33)27-53(39)21-13-11-12-14-22-54-28-32-24-42-38(36-18-16-20-40(54)44(32)36)26-34(30-50(42)6)48-46(56)52(9-3)10-4/h15-20,27-28,33-34,37-38,41-42H,7-14,21-26,29-30H2,1-6H3,(H,47,55)(H,48,56)/t33?,34?,37-,38-,41-,42-/m1/s1
InChIKey XCGKGYMMYIYABI-LHWARLJBSA-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 763.082 g/mol
Solvent CDCl3
Source File Reference UWLU30922