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

SpectraBase Compound ID	3RXinMZhiIM
InChI	InChI=1S/C48H62N8O2/c1-7-53(8-2)47(57)49-35-23-39-37-13-11-15-41-45(37)33(21-43(39)51(5)29-35)27-55(41)25-31-17-19-32(20-18-31)26-56-28-34-22-44-40(38-14-12-16-42(56)46(34)38)24-36(30-52(44)6)50-48(58)54(9-3)10-4/h11-20,27-28,35-36,39-40,43-44H,7-10,21-26,29-30H2,1-6H3,(H,49,57)(H,50,58)/t35-,36-,39+,40+,43+,44+/m0/s1
InChIKey	GHTZGQVYHYIHQL-UBCRSLPBSA-N Google Search
Mol Weight	783.1 g/mol
Molecular Formula	C48H62N8O2
Exact Mass	782.499573 g/mol

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SpectraBase Spectrum ID	15bGc6MYm3
Name	1,4-DI-[6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE-1-YL-METHYL]-BENZENE
Compound Number	4C
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C48H62N8O2
InChI	InChI=1S/C48H62N8O2/c1-7-53(8-2)47(57)49-35-23-39-37-13-11-15-41-45(37)33(21-43(39)51(5)29-35)27-55(41)25-31-17-19-32(20-18-31)26-56-28-34-22-44-40(38-14-12-16-42(56)46(34)38)24-36(30-52(44)6)50-48(58)54(9-3)10-4/h11-20,27-28,35-36,39-40,43-44H,7-10,21-26,29-30H2,1-6H3,(H,49,57)(H,50,58)/t35-,36-,39+,40+,43+,44+/m0/s1
InChIKey	GHTZGQVYHYIHQL-UBCRSLPBSA-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	783.073 g/mol
Solvent	CDCl3
Source File Reference	UWLU30923