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1-CARBOXYMETHYL-6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE
SpectraBase Compound ID 6ALwARQUte2
InChI InChI=1S/C22H30N4O3/c1-4-25(5-2)22(29)23-15-10-17-16-7-6-8-18-21(16)14(9-19(17)24(3)12-15)11-26(18)13-20(27)28/h6-8,11,15,17,19H,4-5,9-10,12-13H2,1-3H3,(H,23,29)(H,27,28)/t15-,17+,19+/m0/s1
InChIKey ROCZAAZRWRVNFQ-KVSKMBFKSA-N
Mol Weight 398.51 g/mol
Molecular Formula C22H30N4O3
Exact Mass 398.231791 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Im44XHTHuLo
Name 1-CARBOXYMETHYL-6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30N4O3
InChI InChI=1S/C22H30N4O3/c1-4-25(5-2)22(29)23-15-10-17-16-7-6-8-18-21(16)14(9-19(17)24(3)12-15)11-26(18)13-20(27)28/h6-8,11,15,17,19H,4-5,9-10,12-13H2,1-3H3,(H,23,29)(H,27,28)/t15-,17+,19+/m0/s1
InChIKey ROCZAAZRWRVNFQ-KVSKMBFKSA-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 398.505 g/mol
Solvent CD3OD
Source File Reference UWLU30932