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1-(2-AMINOETHYL)-6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE
SpectraBase Compound ID F06NMOgKx6J
InChI InChI=1S/C22H33N5O/c1-4-26(5-2)22(28)24-16-12-18-17-7-6-8-19-21(17)15(13-27(19)10-9-23)11-20(18)25(3)14-16/h6-8,13,16,18,20H,4-5,9-12,14,23H2,1-3H3,(H,24,28)/t16-,18+,20+/m0/s1
InChIKey MLLCQCJBNUPMPB-ILZDJORESA-N
Mol Weight 383.5 g/mol
Molecular Formula C22H33N5O
Exact Mass 383.268511 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2UEuv7bftuB
Name 1-(2-AMINOETHYL)-6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE
Compound Number 9D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H33N5O
InChI InChI=1S/C22H33N5O/c1-4-26(5-2)22(28)24-16-12-18-17-7-6-8-19-21(17)15(13-27(19)10-9-23)11-20(18)25(3)14-16/h6-8,13,16,18,20H,4-5,9-12,14,23H2,1-3H3,(H,24,28)/t16-,18+,20+/m0/s1
InChIKey MLLCQCJBNUPMPB-ILZDJORESA-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 383.537 g/mol
Solvent CDCl3:ONE-DROP-OF-CD3OD
Source File Reference UWLU30934