![#5C;BROMO-2,2-DI-[6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE-1-YL-METHYL]-3-[6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE-1-YL]-PROPANE](/api/spectrum/7PWjTEb4cJE/structure.png?h=300&w=458 "#5C;BROMO-2,2-DI-[6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE-1-YL-METHYL]-3-[6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE-1-YL]-PROPANE")
| SpectraBase Compound ID | BQm1IBjF9tC |
|---|---|
| InChI | InChI=1S/C65H89BrN12O3/c1-10-73(11-2)62(79)67-44-28-50-47-19-16-22-53-59(47)41(25-56(50)70(7)34-44)31-76(53)38-65(37-66,39-77-32-42-26-57-51(48-20-17-23-54(77)60(42)48)29-45(35-71(57)8)68-63(80)74(12-3)13-4)40-78-33-43-27-58-52(49-21-18-24-55(78)61(43)49)30-46(36-72(58)9)69-64(81)75(14-5)15-6/h16-24,31-33,44-46,50-52,56-58H,10-15,25-30,34-40H2,1-9H3,(H,67,79)(H,68,80)(H,69,81)/t44-,45-,46-,50+,51+,52+,56+,57+,58+/m0/s1 |
| InChIKey | SXLOMISQMCKIGL-GCJUXWOGSA-N |
| Mol Weight | 1166.4 g/mol |
| Molecular Formula | C65H89BrN12O3 |
| Exact Mass | 1164.636398 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7PWjTEb4cJE |
|---|---|
| Name | #5C;BROMO-2,2-DI-[6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE-1-YL-METHYL]-3-[6-METHYL-8-ALPHA-(DIETHYLCARBAMOYLAMINO)-ERGOLINE-1-YL]-PROPANE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H89BrN12O3 |
| InChI | InChI=1S/C65H89BrN12O3/c1-10-73(11-2)62(79)67-44-28-50-47-19-16-22-53-59(47)41(25-56(50)70(7)34-44)31-76(53)38-65(37-66,39-77-32-42-26-57-51(48-20-17-23-54(77)60(42)48)29-45(35-71(57)8)68-63(80)74(12-3)13-4)40-78-33-43-27-58-52(49-21-18-24-55(78)61(43)49)30-46(36-72(58)9)69-64(81)75(14-5)15-6/h16-24,31-33,44-46,50-52,56-58H,10-15,25-30,34-40H2,1-9H3,(H,67,79)(H,68,80)(H,69,81)/t44-,45-,46-,50+,51+,52+,56+,57+,58+/m0/s1 |
| InChIKey | SXLOMISQMCKIGL-GCJUXWOGSA-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 | 1166.404 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU30928 |