1,2,4,5-TETRA-[6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE-1-YL-METHYL]-BENZENE

SpectraBase Compound ID	5Y31pxrMdT1
InChI	InChI=1S/C90H118N16O4/c1-13-99(14-2)87(107)91-63-39-71-67-25-21-29-75-83(67)59(35-79(71)95(9)51-63)47-103(75)43-55-33-57(45-105-49-61-37-81-73(69-27-23-31-77(105)85(61)69)41-65(53-97(81)11)93-89(109)101(17-5)18-6)58(46-106-50-62-38-82-74(70-28-24-32-78(106)86(62)70)42-66(54-98(82)12)94-90(110)102(19-7)20-8)34-56(55)44-104-48-60-36-80-72(68-26-22-30-76(104)84(60)68)40-64(52-96(80)10)92-88(108)100(15-3)16-4/h21-34,47-50,63-66,71-74,79-82H,13-20,35-46,51-54H2,1-12H3,(H,91,107)(H,92,108)(H,93,109)(H,94,110)/t63-,64-,65-,66-,71+,72+,73+,74+,79+,80+,81+,82+/m0/s1
InChIKey	NQARMCLWAIGQPQ-SHELVCKXSA-N Google Search
Mol Weight	1488.0 g/mol
Molecular Formula	C90H118N16O4
Exact Mass	1486.952196 g/mol

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SpectraBase Spectrum ID	K1AlRDhxgEV
Name	1,2,4,5-TETRA-[6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE-1-YL-METHYL]-BENZENE
Compound Number	7
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C90H118N16O4
InChI	InChI=1S/C90H118N16O4/c1-13-99(14-2)87(107)91-63-39-71-67-25-21-29-75-83(67)59(35-79(71)95(9)51-63)47-103(75)43-55-33-57(45-105-49-61-37-81-73(69-27-23-31-77(105)85(61)69)41-65(53-97(81)11)93-89(109)101(17-5)18-6)58(46-106-50-62-38-82-74(70-28-24-32-78(106)86(62)70)42-66(54-98(82)12)94-90(110)102(19-7)20-8)34-56(55)44-104-48-60-36-80-72(68-26-22-30-76(104)84(60)68)40-64(52-96(80)10)92-88(108)100(15-3)16-4/h21-34,47-50,63-66,71-74,79-82H,13-20,35-46,51-54H2,1-12H3,(H,91,107)(H,92,108)(H,93,109)(H,94,110)/t63-,64-,65-,66-,71+,72+,73+,74+,79+,80+,81+,82+/m0/s1
InChIKey	NQARMCLWAIGQPQ-SHELVCKXSA-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	1488.032 g/mol
Solvent	CDCl3
Source File Reference	UWLU30930